N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

C23H19BrClN7O — CID 139487832

About N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487832) has the molecular formula C23H19BrClN7O and a molecular weight of 524.81 g/mol. Its IUPAC name is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 139487832
• Molecular Formula: C23H19BrClN7O
• Molecular Weight: 524.81 g/mol
• Exact Mass: 523.05
• IUPAC Name: N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3c(Cl)c(C4CC4)ccc3n2)c1
• InChI: InChI=1S/C23H19BrClN7O/c24-16-5-6-30-13-27-19(20(30)7-16)9-26-23(33)15-8-28-31(10-15)11-17-12-32-21(29-17)4-3-18(22(32)25)14-1-2-14/h3-8,10,12-14H,1-2,9,11H2,(H,26,33)
• InChIKey: RORYYKUCHHMJHO-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 81.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.81
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487832) is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

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

The canonical SMILES for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3c(Cl)c(C4CC4)ccc3n2)c1.

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

The InChIKey is RORYYKUCHHMJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrClN7O/c24-16-5-6-30-13-27-19(20(30)7-16)9-26-23(33)15-8-28-31(10-15)11-17-12-32-21(29-17)4-3-18(22(32)25)14-1-2-14/h3-8,10,12-14H,1-2,9,11H2,(H,26,33).

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

N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 524.81 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-chloro-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).