N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide

C23H17BrFN9O — CID 139487932

About N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139487932) has the molecular formula C23H17BrFN9O and a molecular weight of 534.35 g/mol. Its IUPAC name is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• PubChem CID: 139487932
• Molecular Formula: C23H17BrFN9O
• Molecular Weight: 534.35 g/mol
• Exact Mass: 533.07
• IUPAC Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
• SMILES: N#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)nn3)nc12
• InChI: InChI=1S/C23H17BrFN9O/c24-17-3-4-32-12-28-18(21(32)20(17)25)7-27-23(35)19-11-34(31-30-19)10-16-9-33-8-15(13-1-2-13)5-14(6-26)22(33)29-16/h3-5,8-9,11-13H,1-2,7,10H2,(H,27,35)
• InChIKey: KWEZNCIVYXLYPL-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 118.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.35
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (CID 139487932) is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide.

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

The canonical SMILES for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is N#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)nn3)nc12.

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

The InChIKey is KWEZNCIVYXLYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrFN9O/c24-17-3-4-32-12-28-18(21(32)20(17)25)7-27-23(35)19-11-34(31-30-19)10-16-9-33-8-15(13-1-2-13)5-14(6-26)22(33)29-16/h3-5,8-9,11-13H,1-2,7,10H2,(H,27,35).

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

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 534.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).