N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C24H19ClFN11O — CID 139488100

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139488100) has the molecular formula C24H19ClFN11O and a molecular weight of 531.94 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• PubChem CID: 139488100
• Molecular Formula: C24H19ClFN11O
• Molecular Weight: 531.94 g/mol
• Exact Mass: 531.14
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)nn1
• InChI: InChI=1S/C24H19ClFN11O/c25-17-3-4-34-11-28-18(22(34)21(17)26)6-27-24(38)19-10-37(33-32-19)9-16-8-35-7-15(14-1-2-14)5-20(23(35)31-16)36-12-29-30-13-36/h3-5,7-8,10-14H,1-2,6,9H2,(H,27,38)
• InChIKey: ZZDUGASJVGDCNQ-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 125.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.94
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139488100) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)nn1.

What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The InChIKey is ZZDUGASJVGDCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN11O/c25-17-3-4-34-11-28-18(22(34)21(17)26)6-27-24(38)19-10-37(33-32-19)9-16-8-35-7-15(14-1-2-14)5-20(23(35)31-16)36-12-29-30-13-36/h3-5,7-8,10-14H,1-2,6,9H2,(H,27,38).

What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 531.94 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139488100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).