N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

C25H20ClN7O — CID 139487326

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487326) has the molecular formula C25H20ClN7O and a molecular weight of 469.94 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 139487326
• Molecular Formula: C25H20ClN7O
• Molecular Weight: 469.94 g/mol
• Exact Mass: 469.14
• IUPAC Name: N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• SMILES: C#Cc1c(C2CC2)ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn12
• InChI: InChI=1S/C25H20ClN7O/c1-2-22-20(16-3-4-16)5-6-24-30-19(14-33(22)24)13-32-12-17(10-29-32)25(34)27-11-21-23-9-18(26)7-8-31(23)15-28-21/h1,5-10,12,14-16H,3-4,11,13H2,(H,27,34)
• InChIKey: JIVADXCNDRDGDY-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 81.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.94
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487326) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

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

The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is C#Cc1c(C2CC2)ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn12.

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

The InChIKey is JIVADXCNDRDGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN7O/c1-2-22-20(16-3-4-16)5-6-24-30-19(14-33(22)24)13-32-12-17(10-29-32)25(34)27-11-21-23-9-18(26)7-8-31(23)15-28-21/h1,5-10,12,14-16H,3-4,11,13H2,(H,27,34).

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

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 469.94 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).