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

C27H27N7O — CID 171089667

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

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 171089667) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 171089667
• Molecular Formula: C27H27N7O
• Molecular Weight: 465.56 g/mol
• Exact Mass: 465.23
• IUPAC Name: N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
• SMILES: Cc1cc2c(N)nccc2c(C)c1CNC(=O)c1cnn(Cc2cn3ccc(C4CC4)cc3n2)c1
• InChI: InChI=1S/C27H27N7O/c1-16-9-23-22(5-7-29-26(23)28)17(2)24(16)12-30-27(35)20-11-31-34(13-20)15-21-14-33-8-6-19(18-3-4-18)10-25(33)32-21/h5-11,13-14,18H,3-4,12,15H2,1-2H3,(H2,28,29)(H,30,35)
• InChIKey: XIJAFPVCGDMYJX-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 103.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.56
LogP ≤ 5	4.13
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-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

The IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 171089667) is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[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-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is Cc1cc2c(N)nccc2c(C)c1CNC(=O)c1cnn(Cc2cn3ccc(C4CC4)cc3n2)c1.

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

The InChIKey is XIJAFPVCGDMYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-16-9-23-22(5-7-29-26(23)28)17(2)24(16)12-30-27(35)20-11-31-34(13-20)15-21-14-33-8-6-19(18-3-4-18)10-25(33)32-21/h5-11,13-14,18H,3-4,12,15H2,1-2H3,(H2,28,29)(H,30,35).

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

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.13, 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-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 171089667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).