3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C26H22N6O — CID 143495204

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

3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143495204) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 143495204
• Molecular Formula: C26H22N6O
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.19
• IUPAC Name: 3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• SMILES: Nc1nccn2c(C3CC(CN=O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
• InChI: InChI=1S/C26H22N6O/c27-25-24-23(31-26(32(24)11-10-28-25)20-12-16(13-20)15-29-33)19-7-6-18-8-9-21(30-22(18)14-19)17-4-2-1-3-5-17/h1-11,14,16,20H,12-13,15H2,(H2,27,28)
• InChIKey: SCHBXAREZBQGEZ-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 98.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 143495204) is 3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

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

The canonical SMILES for 3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CC(CN=O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.

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

The InChIKey is SCHBXAREZBQGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c27-25-24-23(31-26(32(24)11-10-28-25)20-12-16(13-20)15-29-33)19-7-6-18-8-9-21(30-22(18)14-19)17-4-2-1-3-5-17/h1-11,14,16,20H,12-13,15H2,(H2,27,28).

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

3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 434.50 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143495204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).