N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide

C22H19ClN8O — CID 139488494

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 139488494) has the molecular formula C22H19ClN8O and a molecular weight of 446.90 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 139488494
• Molecular Formula: C22H19ClN8O
• Molecular Weight: 446.90 g/mol
• Exact Mass: 446.14
• IUPAC Name: N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)cc12)c1ncn(Cc2cn3cc(C4CC4)ccc3n2)n1
• InChI: InChI=1S/C22H19ClN8O/c23-16-5-6-29-12-25-18(19(29)7-16)8-24-22(32)21-26-13-31(28-21)11-17-10-30-9-15(14-1-2-14)3-4-20(30)27-17/h3-7,9-10,12-14H,1-2,8,11H2,(H,24,32)
• InChIKey: QYOXNOFJBYTKSQ-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 94.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.90
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide?

The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide (CID 139488494) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide?

The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1ncn(Cc2cn3cc(C4CC4)ccc3n2)n1.

What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide?

The InChIKey is QYOXNOFJBYTKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O/c23-16-5-6-29-12-25-18(19(29)7-16)8-24-22(32)21-26-13-31(28-21)11-17-10-30-9-15(14-1-2-14)3-4-20(30)27-17/h3-7,9-10,12-14H,1-2,8,11H2,(H,24,32).

What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide?

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 446.90 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 139488494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).