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Heterocyclic compounds

Orb3174495

CAS 2921670-99-5Formula C51H63N11O4Molar mass 894.14 g/mol
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Orb3174495 chemical structure, C51H63N11O4, CAS 2921670-99-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2921670-99-5
Formula
C51H63N11O4
Molar mass
894.14 g/mol
HS code
293359
Category
Heterocyclic compounds

What is Orb3174495?

Plain description, key identifiers and synonyms

Orb3174495 is a chemical substance with the molecular formula C51H63N11O4 and a molar mass of 894.14 g/mol. Its CAS registry number is 2921670-99-5. The IUPAC name is 3-[1-[[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-2-oxo-1H-quinoline-6-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[1-[[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-2-oxo-1H-quinoline-6-carboxamide
CAS number
2921670-99-5
Molecular formula
C51H63N11O4
InChIKey
RUXWQQJPDPBTHG-YACUFSJGSA-N
InChI
InChI=1S/C51H63N11O4/c1-32-24-33(25-38-30-53-57-47(32)38)26-46(50(65)61-22-20-60(21-23-61)40-12-16-59(3)17-13-40)56-51(66)62-18-10-34(11-19-62)41-28-37-27-36(4-6-44(37)55-49(41)64)48(63)54-39-5-7-45-42(29-39)43(31-52-45)35-8-14-58(2)15-9-35/h4-7,24-25,27-31,34-35,40,46,52H,8-23,26H2,1-3H3,(H,53,57)(H,54,63)(H,55,64)(H,56,66)/t46-/m1/s1
Canonical SMILES
Cc1cc(CC(NC(=O)N2CCC(c3cc4cc(C(=O)Nc5ccc6[nH]cc(C7CCN(C)CC7)c6c5)ccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12
Isomeric SMILES
CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)N3CCN(CC3)C4CCN(CC4)C)NC(=O)N5CCC(CC5)C6=CC7=C(C=CC(=C7)C(=O)NC8=CC9=C(C=C8)NC=C9C1CCN(CC1)C)NC6=O

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
894.14 g/molcalc.
Exact mass
893.5064 Dacalc.
LogP (octanol/water)
5.99calc.
Topological polar surface area
168.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
66calc.
Rings
10calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.47calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Nc1ccc2[nH]cc(C3CCNCC3)c2c1)c1ccc2[nH]c(=O)c(C3CCN(C(=O)NC(Cc4ccc5[nH]ncc5c4)C(=O)N4CCN(C5CCNCC5)CC4)CC3)cc2c1

O=C(Nc1ccc2[nH]cc(C3CCNCC3)c2c1)c1ccc2[nH]c(=O)c(C3CCN(C(=O)NC(Cc4ccc5[nH]ncc5c4)C(=O)N4CCN(C5CCNCC5)CC4)CC3)cc2c1

10 rings, 63 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.

Orb3174495 suppliers

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Orb3174495 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb3174495 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
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3174495 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3174495, based on the data on this page

What is Orb3174495?

Orb3174495 is a chemical substance with the molecular formula C51H63N11O4 and a molar mass of 894.14 g/mol. Its CAS registry number is 2921670-99-5.

What is the CAS number of Orb3174495?

The CAS registry number of Orb3174495 is 2921670-99-5.

What is the molecular formula and weight of Orb3174495?

The molecular formula of Orb3174495 is C51H63N11O4 and its molar mass is 894.14 g/mol.

Is Orb3174495 hazardous?

No GHS hazard classification for Orb3174495 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 Orb3174495?

Orb3174495 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 Orb3174495?

Post a free request on CompoundList and suppliers of Orb3174495 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3174495?

Suppliers quote Orb3174495 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Orb3174495

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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