6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide

C50H38Cl2F2N16O3 — CID 157137188

About 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide

6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide (PubChem CID 157137188) has the molecular formula C50H38Cl2F2N16O3 and a molecular weight of 1019.86 g/mol. Its IUPAC name is 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide
• PubChem CID: 157137188
• Molecular Formula: C50H38Cl2F2N16O3
• Molecular Weight: 1019.86 g/mol
• Exact Mass: 1018.27
• IUPAC Name: 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide
• SMILES: N#Cc1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12.NC(=O)c1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12
• InChI: InChI=1S/C25H20ClFN8O2.C25H18ClFN8O/c26-18-3-4-34-12-31-19(23(34)21(18)27)9-30-25(37)20-11-35(33-32-20)10-13-5-15-7-16(14-1-2-14)8-29-22(15)17(6-13)24(28)36;26-19-3-4-34-13-31-20(24(34)22(19)27)10-30-25(36)21-12-35(33-32-21)11-14-5-16-7-18(15-1-2-15)9-29-23(16)17(6-14)8-28/h3-8,11-12,14H,1-2,9-10H2,(H2,28,36)(H,30,37);3-7,9,12-13,15H,1-2,10-11H2,(H,30,36)
• InChIKey: AJTIDQMOGYZKBQ-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 246.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.86
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide?

The IUPAC name of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide (CID 157137188) is 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide.

What is the SMILES notation for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide?

The canonical SMILES for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide is N#Cc1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12.NC(=O)c1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12.

What is the InChIKey of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide?

The InChIKey is AJTIDQMOGYZKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN8O2.C25H18ClFN8O/c26-18-3-4-34-12-31-19(23(34)21(18)27)9-30-25(37)20-11-35(33-32-20)10-13-5-15-7-16(14-1-2-14)8-29-22(15)17(6-13)24(28)36;26-19-3-4-34-13-31-20(24(34)22(19)27)10-30-25(36)21-12-35(33-32-21)11-14-5-16-7-18(15-1-2-15)9-29-23(16)17(6-14)8-28/h3-8,11-12,14H,1-2,9-10H2,(H2,28,36)(H,30,37);3-7,9,12-13,15H,1-2,10-11H2,(H,30,36).

What are the key properties of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide?

6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide has a molecular weight of 1019.86 g/mol, XLogP of 7.21, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 157137188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).