2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone

C24H28N4O — CID 152873123

About 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone

2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone (PubChem CID 152873123) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone
• PubChem CID: 152873123
• Molecular Formula: C24H28N4O
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.23
• IUPAC Name: 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone
• SMILES: Cc1ncc(-c2ccc3cnc(CC(=O)C4CN(CC5(C)CC5)C4)cc3c2)n1C
• InChI: InChI=1S/C24H28N4O/c1-16-25-12-22(27(16)3)17-4-5-18-11-26-21(9-19(18)8-17)10-23(29)20-13-28(14-20)15-24(2)6-7-24/h4-5,8-9,11-12,20H,6-7,10,13-15H2,1-3H3
• InChIKey: TZUDISRLCVKZAF-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone?

The IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone (CID 152873123) is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone.

What is the SMILES notation for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone?

The canonical SMILES for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)C4CN(CC5(C)CC5)C4)cc3c2)n1C.

What is the InChIKey of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone?

The InChIKey is TZUDISRLCVKZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16-25-12-22(27(16)3)17-4-5-18-11-26-21(9-19(18)8-17)10-23(29)20-13-28(14-20)15-24(2)6-7-24/h4-5,8-9,11-12,20H,6-7,10,13-15H2,1-3H3.

What are the key properties of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone?

2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone has a molecular weight of 388.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone is sourced from PubChem (CID 152873123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).