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

C25H24ClFN8O3 — CID 139487620

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxyethoxymethyl)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-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487620) has the molecular formula C25H24ClFN8O3 and a molecular weight of 538.97 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxyethoxymethyl)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-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• PubChem CID: 139487620
• Molecular Formula: C25H24ClFN8O3
• Molecular Weight: 538.97 g/mol
• Exact Mass: 538.16
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(COCCO)c3n2)nn1
• InChI: InChI=1S/C25H24ClFN8O3/c26-19-3-4-33-14-29-20(23(33)22(19)27)8-28-25(37)21-12-35(32-31-21)11-18-10-34-9-16(15-1-2-15)7-17(24(34)30-18)13-38-6-5-36/h3-4,7,9-10,12,14-15,36H,1-2,5-6,8,11,13H2,(H,28,37)
• InChIKey: WMQJOMVTUTVWNE-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 123.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.97
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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-(2-hydroxyethoxymethyl)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-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487620) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxyethoxymethyl)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-(2-hydroxyethoxymethyl)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-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(COCCO)c3n2)nn1.

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

The InChIKey is WMQJOMVTUTVWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN8O3/c26-19-3-4-33-14-29-20(23(33)22(19)27)8-28-25(37)21-12-35(32-31-21)11-18-10-34-9-16(15-1-2-15)7-17(24(34)30-18)13-38-6-5-36/h3-4,7,9-10,12,14-15,36H,1-2,5-6,8,11,13H2,(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-(2-hydroxyethoxymethyl)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-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 538.97 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 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-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).