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

C25H24ClFN8O — CID 153431040

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[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-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 153431040) has the molecular formula C25H24ClFN8O and a molecular weight of 506.97 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[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-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• PubChem CID: 153431040
• Molecular Formula: C25H24ClFN8O
• Molecular Weight: 506.97 g/mol
• Exact Mass: 506.17
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• SMILES: CCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
• InChI: InChI=1S/C25H24ClFN8O/c1-2-3-16-8-17(15-4-5-15)10-34-11-18(30-24(16)34)12-35-13-21(31-32-35)25(36)28-9-20-23-22(27)19(26)6-7-33(23)14-29-20/h6-8,10-11,13-15H,2-5,9,12H2,1H3,(H,28,36)
• InChIKey: JMLWMMKSCYINDY-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 94.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.97
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-propylimidazo[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-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (CID 153431040) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[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-propylimidazo[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-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is CCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.

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

The InChIKey is JMLWMMKSCYINDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN8O/c1-2-3-16-8-17(15-4-5-15)10-34-11-18(30-24(16)34)12-35-13-21(31-32-35)25(36)28-9-20-23-22(27)19(26)6-7-33(23)14-29-20/h6-8,10-11,13-15H,2-5,9,12H2,1H3,(H,28,36).

What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[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-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 506.97 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 153431040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).