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

C25H24BrN7O — CID 171090532

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

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 171090532) has the molecular formula C25H24BrN7O and a molecular weight of 518.42 g/mol. Its IUPAC name is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 171090532
• Molecular Formula: C25H24BrN7O
• Molecular Weight: 518.42 g/mol
• Exact Mass: 517.12
• IUPAC Name: N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• SMILES: Cc1cc2nc(Cn3cc(C(=O)NCc4c(C)cc5c(N)nccc5c4C)cn3)cn2cc1Br
• InChI: InChI=1S/C25H24BrN7O/c1-14-6-20-19(4-5-28-24(20)27)16(3)21(14)9-29-25(34)17-8-30-33(10-17)12-18-11-32-13-22(26)15(2)7-23(32)31-18/h4-8,10-11,13H,9,12H2,1-3H3,(H2,27,28)(H,29,34)
• InChIKey: BVASEWATIAJDFU-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 103.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.42
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

The IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 171090532) is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

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

The canonical SMILES for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is Cc1cc2nc(Cn3cc(C(=O)NCc4c(C)cc5c(N)nccc5c4C)cn3)cn2cc1Br.

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

The InChIKey is BVASEWATIAJDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN7O/c1-14-6-20-19(4-5-28-24(20)27)16(3)21(14)9-29-25(34)17-8-30-33(10-17)12-18-11-32-13-22(26)15(2)7-23(32)31-18/h4-8,10-11,13H,9,12H2,1-3H3,(H2,27,28)(H,29,34).

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

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 518.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 171090532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).