3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C30H30N6 — CID 143701228

About 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143701228) has the molecular formula C30H30N6 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 143701228
• Molecular Formula: C30H30N6
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.25
• IUPAC Name: 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• SMILES: CNc1nccn2c(C3CC(CN4CCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
• InChI: InChI=1S/C30H30N6/c1-31-29-28-27(23-9-8-22-10-11-25(33-26(22)18-23)21-6-3-2-4-7-21)34-30(36(28)15-12-32-29)24-16-20(17-24)19-35-13-5-14-35/h2-4,6-12,15,18,20,24H,5,13-14,16-17,19H2,1H3,(H,31,32)
• InChIKey: IGKTVOBTBBKVKF-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 58.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 143701228) is 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CNc1nccn2c(C3CC(CN4CCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.

What is the InChIKey of 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is IGKTVOBTBBKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6/c1-31-29-28-27(23-9-8-22-10-11-25(33-26(22)18-23)21-6-3-2-4-7-21)34-30(36(28)15-12-32-29)24-16-20(17-24)19-35-13-5-14-35/h2-4,6-12,15,18,20,24H,5,13-14,16-17,19H2,1H3,(H,31,32).

What are the key properties of 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 474.61 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143701228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).