Orb1687680 (CAS 2716184-93-7): price, suppliers and safety

What is Orb1687680?

Plain description, key identifiers and synonyms

Orb1687680 is a chemical substance with the molecular formula C22H19N7O3 and a molar mass of 429.44 g/mol. Its CAS registry number is 2716184-93-7. The IUPAC name is N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxamide
CAS number: 2716184-93-7
Molecular formula: C₂₂H₁₉N₇O₃
InChIKey: DPGUNUKVATWILP-UHFFFAOYSA-N
InChI: InChI=1S/C22H19N7O3/c1-28-13-14(10-26-28)18-9-15(6-7-23-18)32-16-4-5-19(24-11-16)27-21(30)17-12-25-20-3-2-8-29(20)22(17)31/h4-7,9-13H,2-3,8H2,1H3,(H,24,27,30)
SMILES (canonical and isomeric): CN1C=C(C=N1)C2=NC=CC(=C2)OC3=CN=C(C=C3)NC(=O)C4=CN=C5CCCN5C4=O

Synonyms

US12435062, Compound 11

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	429.44 g/molcalc.
Exact mass	429.1549 Dacalc.
LogP (octanol/water)	2.42calc.
Topological polar surface area	116.8 Å²calc.
Hydrogen bond donors	1calc.
Hydrogen bond acceptors	7calc.
Rotatable bonds	5calc.
Heavy atoms	32calc.
Rings	5calc.
Aromatic rings	4calc.
Fraction sp3 carbons	0.18calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C(Nc1ccc(Oc2ccnc(-c3cn[nH]c3)c2)cn1)c1cnc2n(c1=O)CCC2

5 rings, 31 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Orb1687680 suppliers

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Orb1687680 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Orb1687680 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024

$18.4B

+10.5% vs 2023, imports $24.8B

2019 to 2024

Top exporters

Ireland43.6%
Switzerland * partner reported26.3%
China7.9%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1687680 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Orb1687702 chemical structure, C23H20N6O3, CAS 2716185-86-1

65% similar

Orb16877022716185-86-1C₂₃H₂₀N₆O₃

Same formula isomers

Different compounds that share this molecular formula

All isomers

N'-[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide chemical structure, C22H19N7O3, CAS 302918-51-0

N'-[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide302918-51-0C₂₂H₁₉N₇O₃

N-[2-(4-{[(Furan-2-yl)methyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide chemical structure, C22H19N7O3, CAS 1209210-14-9

N-[2-(4-{[(Furan-2-yl)methyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide1209210-14-9C₂₂H₁₉N₇O₃

3-(2-Ethoxyphenyl)-6-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one chemical structure, C22H19N7O3, CAS 1040675-70-4

3-(2-Ethoxyphenyl)-6-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one1040675-70-4C₂₂H₁₉N₇O₃

3-(4-Ethylphenyl)-6-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one chemical structure, C22H19N7O3, CAS 1040676-33-2

3-(4-Ethylphenyl)-6-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one1040676-33-2C₂₂H₁₉N₇O₃

3-(4-Ethoxyphenyl)-6-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one chemical structure, C22H19N7O3, CAS 1040676-64-9

3-(4-Ethoxyphenyl)-6-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one1040676-64-9C₂₂H₁₉N₇O₃

N-(1-(1-(3,4-Dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methyl-1H-pyrazol-5-yl)furan-2-carboxamide chemical structure, C22H19N7O3, CAS 1170449-29-2

N-(1-(1-(3,4-Dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methyl-1H-pyrazol-5-yl)furan-2-carboxamide1170449-29-2C₂₂H₁₉N₇O₃

(Z)-3-Methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H19N7O3, CAS 331839-83-9

(Z)-3-Methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-7-phenethyl-1H-purine-2,6(3H,7H)-dione331839-83-9C₂₂H₁₉N₇O₃

1-(4-((6-(1H-Pyrazol-1-yl)pyrimidin-4-yl)amino)phenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)urea chemical structure, C22H19N7O3, CAS 1203359-84-5

1-(4-((6-(1H-Pyrazol-1-yl)pyrimidin-4-yl)amino)phenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)urea1203359-84-5C₂₂H₁₉N₇O₃

6-(2-Methoxyphenyl)-N-((1-methyl-1H-benzo[d]imidazol-2-yl)methyl)-4-oxo-4,5-dihydro-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide chemical structure, C22H19N7O3, CAS 1396637-14-1

6-(2-Methoxyphenyl)-N-((1-methyl-1H-benzo[d]imidazol-2-yl)methyl)-4-oxo-4,5-dihydro-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide1396637-14-1C₂₂H₁₉N₇O₃

(Z)-7-Benzyl-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H19N7O3, CAS 329703-15-3

(Z)-7-Benzyl-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione329703-15-3C₂₂H₁₉N₇O₃

(E)-1-Benzyl-3,7-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H19N7O3, CAS 675196-77-7

(E)-1-Benzyl-3,7-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione675196-77-7C₂₂H₁₉N₇O₃

3-(4-Ethoxyphenyl)-6-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one chemical structure, C22H19N7O3, CAS 1040676-70-7

3-(4-Ethoxyphenyl)-6-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one1040676-70-7C₂₂H₁₉N₇O₃

Frequently asked questions

Quick answers about Orb1687680, based on the data on this page

What is Orb1687680?

Orb1687680 is a chemical substance with the molecular formula C22H19N7O3 and a molar mass of 429.44 g/mol. Its CAS registry number is 2716184-93-7. The IUPAC name is N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxamide.

What is the CAS number of Orb1687680?

The CAS registry number of Orb1687680 is 2716184-93-7.

What is the molecular formula and weight of Orb1687680?

The molecular formula of Orb1687680 is C22H19N7O3 and its molar mass is 429.44 g/mol.

What is Orb1687680 used for?

Known uses and roles of Orb1687680 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1687680 hazardous?

No GHS hazard classification for Orb1687680 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb1687680?

Orb1687680 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1687680?

Post a free request on CompoundList and suppliers of Orb1687680 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1687680?

Suppliers quote Orb1687680 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Orb1687680

Key facts

What is Orb1687680?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb1687680 suppliers

Orb1687680 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Orb1687680?

What is the CAS number of Orb1687680?

What is the molecular formula and weight of Orb1687680?

What is Orb1687680 used for?

Is Orb1687680 hazardous?

What is the HS code of Orb1687680?

Where can I buy Orb1687680?

What is the price of Orb1687680?

Guides for buyers

Get quotes for Orb1687680

Key facts

What is Orb1687680?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb1687680 suppliers

Orb1687680 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Orb1687680?

What is the CAS number of Orb1687680?

What is the molecular formula and weight of Orb1687680?

What is Orb1687680 used for?

Is Orb1687680 hazardous?

What is the HS code of Orb1687680?

Where can I buy Orb1687680?

What is the price of Orb1687680?

Guides for buyers

Get quotes for Orb1687680