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

C26H27N7O — CID 171090308

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

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 171090308) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 171090308
• Molecular Formula: C26H27N7O
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.23
• IUPAC Name: N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• SMILES: CCc1cccc2nc(Cn3cc(C(=O)NCc4c(C)cc5c(N)nccc5c4C)cn3)cn12
• InChI: InChI=1S/C26H27N7O/c1-4-20-6-5-7-24-31-19(15-33(20)24)14-32-13-18(11-30-32)26(34)29-12-23-16(2)10-22-21(17(23)3)8-9-28-25(22)27/h5-11,13,15H,4,12,14H2,1-3H3,(H2,27,28)(H,29,34)
• InChIKey: SBXAPJSWQKXVGA-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 103.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	3.82
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-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

The IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 171090308) is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-ethylimidazo[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-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is CCc1cccc2nc(Cn3cc(C(=O)NCc4c(C)cc5c(N)nccc5c4C)cn3)cn12.

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

The InChIKey is SBXAPJSWQKXVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-4-20-6-5-7-24-31-19(15-33(20)24)14-32-13-18(11-30-32)26(34)29-12-23-16(2)10-22-21(17(23)3)8-9-28-25(22)27/h5-11,13,15H,4,12,14H2,1-3H3,(H2,27,28)(H,29,34).

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

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 3.82, 6 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-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 171090308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).