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

C20H14Br2ClN7O — CID 139487481

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

1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487481) has the molecular formula C20H14Br2ClN7O and a molecular weight of 563.64 g/mol. Its IUPAC name is 1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 139487481
• Molecular Formula: C20H14Br2ClN7O
• Molecular Weight: 563.64 g/mol
• Exact Mass: 560.93
• IUPAC Name: 1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3c(Cl)c(Br)ccc3n2)c1
• InChI: InChI=1S/C20H14Br2ClN7O/c21-13-3-4-28-11-25-16(17(28)5-13)7-24-20(31)12-6-26-29(8-12)9-14-10-30-18(27-14)2-1-15(22)19(30)23/h1-6,8,10-11H,7,9H2,(H,24,31)
• InChIKey: CSEMVCMVMSEKBC-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 81.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.64
LogP ≤ 5	4.34
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 1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide?

The IUPAC name of 1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide (CID 139487481) is 1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide.

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

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

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

The InChIKey is CSEMVCMVMSEKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2ClN7O/c21-13-3-4-28-11-25-16(17(28)5-13)7-24-20(31)12-6-26-29(8-12)9-14-10-30-18(27-14)2-1-15(22)19(30)23/h1-6,8,10-11H,7,9H2,(H,24,31).

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

1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 563.64 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-bromo-5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).