N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

C23H18BrF2N7O — CID 139488208

About N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139488208) has the molecular formula C23H18BrF2N7O and a molecular weight of 526.35 g/mol. Its IUPAC name is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 139488208
• Molecular Formula: C23H18BrF2N7O
• Molecular Weight: 526.35 g/mol
• Exact Mass: 525.07
• IUPAC Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Br)c(F)c12)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1
• InChI: InChI=1S/C23H18BrF2N7O/c24-17-5-6-31-12-28-18(21(31)20(17)25)8-27-23(34)14-7-29-32(9-14)10-15-11-33-19(30-15)4-3-16(22(33)26)13-1-2-13/h3-7,9,11-13H,1-2,8,10H2,(H,27,34)
• InChIKey: ACTPWCJUTZVHPO-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 81.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.35
LogP ≤ 5	4.07
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-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

The IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139488208) is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Br)c(F)c12)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1.

What is the InChIKey of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

The InChIKey is ACTPWCJUTZVHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrF2N7O/c24-17-5-6-31-12-28-18(21(31)20(17)25)8-27-23(34)14-7-29-32(9-14)10-15-11-33-19(30-15)4-3-16(22(33)26)13-1-2-13/h3-7,9,11-13H,1-2,8,10H2,(H,27,34).

What are the key properties of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 526.35 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139488208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).