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

C21H17ClFN9O — CID 139487324

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139487324) has the molecular formula C21H17ClFN9O and a molecular weight of 465.88 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide
• PubChem CID: 139487324
• Molecular Formula: C21H17ClFN9O
• Molecular Weight: 465.88 g/mol
• Exact Mass: 465.12
• IUPAC Name: N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cnc3n2)nn1
• InChI: InChI=1S/C21H17ClFN9O/c22-15-3-4-30-11-26-16(19(30)18(15)23)6-24-20(33)17-10-32(29-28-17)9-14-8-31-7-13(12-1-2-12)5-25-21(31)27-14/h3-5,7-8,10-12H,1-2,6,9H2,(H,24,33)
• InChIKey: CLJBXLCMPPMYOH-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 107.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.88
LogP ≤ 5	2.62
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-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide?

The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide (CID 139487324) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-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-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide?

The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cnc3n2)nn1.

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

The InChIKey is CLJBXLCMPPMYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN9O/c22-15-3-4-30-11-26-16(19(30)18(15)23)6-24-20(33)17-10-32(29-28-17)9-14-8-31-7-13(12-1-2-12)5-25-21(31)27-14/h3-5,7-8,10-12H,1-2,6,9H2,(H,24,33).

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 465.88 g/mol, XLogP of 2.62, 6 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-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).