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Murcko scaffold

Ring system with 3 rings and 20 atoms

51 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 20
Chemicals: 51
With full pages: 15

Scaffold SMILES

O=C(CCCc1ccccc1)N1CCn2cnnc2C1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold

Murcko scaffold O=C(CCCc1ccccc1)N1CCn2cnnc2C1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 48 of 51 chemicals

Sitagliptin chemical structure, C16H15F6N5O, CAS 486460-32-6

CAS 486460-32-6C₁₆H₁₅F₆N₅O

Sitagliptin phosphate anhydrous chemical structure, C16H18F6N5O5P, CAS 654671-78-0

Sitagliptin phosphate anhydrous

CAS 654671-78-0C₁₆H₁₈F₆N₅O₅P

(3R)-3-Amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]butan-1-one hydrochloride chemical structure, C16H16F5N5O, CAS 486460-31-5

(3R)-3-Amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]butan-1-one hydrochloride

CAS 486460-31-5C₁₆H₁₆F₅N₅O

(1R)-1-(3,4-Difluorobenzyl)-3-oxo-3-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]propylamine hydrochloride chemical structure, C16H16F5N5O, CAS 486459-88-5

(1R)-1-(3,4-Difluorobenzyl)-3-oxo-3-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]propylamine hydrochloride

CAS 486459-88-5C₁₆H₁₆F₅N₅O

3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one phosphate chemical structure, C16H18F6N5O5P, CAS 823817-57-8

3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one phosphate

CAS 823817-57-8C₁₆H₁₈F₆N₅O₅P

3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one chemical structure, C16H15F6N5O, CAS 823817-56-7

3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

CAS 823817-56-7C₁₆H₁₅F₆N₅O

(R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one Hydrochloride Salt chemical structure, C16H17ClF5N5O, CAS 486459-70-5

(R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one Hydrochloride Salt

CAS 486459-70-5C₁₆H₁₇ClF₅N₅O

Sitagliptin phosphate anhydrous, (S)- chemical structure, C16H18F6N5O5P, CAS 823817-58-9

Sitagliptin phosphate anhydrous, (S)-

CAS 823817-58-9C₁₆H₁₈F₆N₅O₅P

(3S)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one chemical structure, C16H15F6N5O, CAS 823817-55-6

(3S)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

CAS 823817-55-6C₁₆H₁₅F₆N₅O

Sitagliptin hydrochloride chemical structure, C16H16ClF6N5O, CAS 486459-71-6

Sitagliptin hydrochloride

CAS 486459-71-6C₁₆H₁₆ClF₆N₅O

4-Desfluoro N-boc sitagliptin chemical structure, C21H24F5N5O3, CAS 486460-22-4

4-Desfluoro N-boc sitagliptin

CAS 486460-22-4C₂₁H₂₄F₅N₅O₃

Sitagliptin Impurity 136 HCl chemical structure, C16H17ClF5N5O, CAS 837430-22-5

Sitagliptin Impurity 136 HCl

CAS 837430-22-5C₁₆H₁₇ClF₅N₅O

Sitagliptin phosphate monohydrate chemical structure, C16H20F6N5O6P, CAS 654671-77-9

Sitagliptin phosphate monohydrate

CAS 654671-77-9C₁₆H₂₀F₆N₅O₆P

Sitagliptin EP impurity C chemical structure, C16H16F5N5O, CAS 945261-48-3

Sitagliptin EP impurity C

CAS 945261-48-3C₁₆H₁₆F₅N₅O

Sitagliptin defuoro impurity 5 chemical structure, C16H16F5N5O, CAS 1334244-32-4

Sitagliptin defuoro impurity 5

CAS 1334244-32-4C₁₆H₁₆F₅N₅O

3-Amino-4-(3,4-difluorophenyl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one chemical structure, C16H16F5N5O, CAS 1334244-24-4

3-Amino-4-(3,4-difluorophenyl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

CAS 1334244-24-4C₁₆H₁₆F₅N₅O

(3R)-3-Amino-1-[(8R)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one chemical structure, C17H17F6N5O, CAS 611240-79-0

(3R)-3-Amino-1-[(8R)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

CAS 611240-79-0C₁₇H₁₇F₆N₅O

Sitagliptin sulfate chemical structure, C16H17F6N5O5S, CAS 1169707-31-6

Sitagliptin sulfate

CAS 1169707-31-6C₁₆H₁₇F₆N₅O₅S

(R)-3-Amino-4-(2-fluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one chemical structure, C16H17F4N5O, CAS 945261-45-0

(R)-3-Amino-4-(2-fluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one

CAS 945261-45-0C₁₆H₁₇F₄N₅O

(R)-3-Amino-4-(4-fluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one chemical structure, C16H17F4N5O, CAS 945261-47-2

(R)-3-Amino-4-(4-fluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one

CAS 945261-47-2C₁₆H₁₇F₄N₅O

(R)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,3,5-trifluorophenyl)butan-1-one chemical structure, C16H15F6N5O, CAS 945261-49-4

(R)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,3,5-trifluorophenyl)butan-1-one

CAS 945261-49-4C₁₆H₁₅F₆N₅O

(R)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,3,6-trifluorophenyl)butan-1-one chemical structure, C16H15F6N5O, CAS 945261-50-7

(R)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,3,6-trifluorophenyl)butan-1-one

CAS 945261-50-7C₁₆H₁₅F₆N₅O

3-Hydroxy-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one chemical structure, C16H14F6N4O2, CAS 1253056-01-7

3-Hydroxy-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

CAS 1253056-01-7C₁₆H₁₄F₆N₄O₂

Sitagliptin-d4 phosphate chemical structure, C16H17F6N5O5P

Sitagliptin-d4 phosphate

C₁₆H₁₇F₆N₅O₅P