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

C25H19ClFN9O2 — CID 139487456

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2-oxazol-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-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487456) has the molecular formula C25H19ClFN9O2 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-oxazol-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-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• PubChem CID: 139487456
• Molecular Formula: C25H19ClFN9O2
• Molecular Weight: 531.94 g/mol
• Exact Mass: 531.13
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2-oxazol-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(-c4cnoc4)c3n2)nn1
• InChI: InChI=1S/C25H19ClFN9O2/c26-19-3-4-34-13-29-20(23(34)22(19)27)7-28-25(37)21-11-36(33-32-21)10-17-9-35-8-15(14-1-2-14)5-18(24(35)31-17)16-6-30-38-12-16/h3-6,8-9,11-14H,1-2,7,10H2,(H,28,37)
• InChIKey: AFGPDDAXHBLMJY-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 120.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.94
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-oxazol-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-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487456) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2-oxazol-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-oxazol-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-oxazol-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(-c4cnoc4)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-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The InChIKey is AFGPDDAXHBLMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN9O2/c26-19-3-4-34-13-29-20(23(34)22(19)27)7-28-25(37)21-11-36(33-32-21)10-17-9-35-8-15(14-1-2-14)5-18(24(35)31-17)16-6-30-38-12-16/h3-6,8-9,11-14H,1-2,7,10H2,(H,28,37).

What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,2-oxazol-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-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 531.94 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).