N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C25H21ClF2N8O2 — CID 139487749

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-fluorooxetan-3-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-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487749) has the molecular formula C25H21ClF2N8O2 and a molecular weight of 538.95 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-fluorooxetan-3-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-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• PubChem CID: 139487749
• Molecular Formula: C25H21ClF2N8O2
• Molecular Weight: 538.95 g/mol
• Exact Mass: 538.14
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(C4(F)COC4)c3n2)nn1
• InChI: InChI=1S/C25H21ClF2N8O2/c26-18-3-4-34-13-30-19(22(34)21(18)27)6-29-24(37)20-10-36(33-32-20)9-16-8-35-7-15(14-1-2-14)5-17(23(35)31-16)25(28)11-38-12-25/h3-5,7-8,10,13-14H,1-2,6,9,11-12H2,(H,29,37)
• InChIKey: BVXXJJHLQNZVAO-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 103.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.95
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-(3-fluorooxetan-3-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-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487749) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-fluorooxetan-3-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-(3-fluorooxetan-3-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-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(C4(F)COC4)c3n2)nn1.

What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?

The InChIKey is BVXXJJHLQNZVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N8O2/c26-18-3-4-34-13-30-19(22(34)21(18)27)6-29-24(37)20-10-36(33-32-20)9-16-8-35-7-15(14-1-2-14)5-17(23(35)31-16)25(28)11-38-12-25/h3-5,7-8,10,13-14H,1-2,6,9,11-12H2,(H,29,37).

What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(3-fluorooxetan-3-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-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 538.95 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).