1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane

C30H35N7O — CID 171090392

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane (PubChem CID 171090392) has the molecular formula C30H35N7O and a molecular weight of 509.66 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane.

Molecular Properties

• Compound Name: 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane
• PubChem CID: 171090392
• Molecular Formula: C30H35N7O
• Molecular Weight: 509.66 g/mol
• Exact Mass: 509.29
• IUPAC Name: 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane
• SMILES: CC.CNc1nccc2c(C)c(CNC(=O)c3cnn(Cc4cn5cc(C6CC6)ccc5n4)c3)c(C)cc12
• InChI: InChI=1S/C28H29N7O.C2H6/c1-17-10-24-23(8-9-30-27(24)29-3)18(2)25(17)12-31-28(36)21-11-32-35(14-21)16-22-15-34-13-20(19-4-5-19)6-7-26(34)33-22;1-2/h6-11,13-15,19H,4-5,12,16H2,1-3H3,(H,29,30)(H,31,36);1-2H3
• InChIKey: GQZFYQILOVNNDL-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 89.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.66
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane?

The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane (CID 171090392) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane.

What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane?

The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane is CC.CNc1nccc2c(C)c(CNC(=O)c3cnn(Cc4cn5cc(C6CC6)ccc5n4)c3)c(C)cc12.

What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane?

The InChIKey is GQZFYQILOVNNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O.C2H6/c1-17-10-24-23(8-9-30-27(24)29-3)18(2)25(17)12-31-28(36)21-11-32-35(14-21)16-22-15-34-13-20(19-4-5-19)6-7-26(34)33-22;1-2/h6-11,13-15,19H,4-5,12,16H2,1-3H3,(H,29,30)(H,31,36);1-2H3.

What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane?

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane has a molecular weight of 509.66 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane is sourced from PubChem (CID 171090392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).