3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C43H40FN7 — CID 130349045

About 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 130349045) has the molecular formula C43H40FN7 and a molecular weight of 673.84 g/mol. Its IUPAC name is 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 130349045
• Molecular Formula: C43H40FN7
• Molecular Weight: 673.84 g/mol
• Exact Mass: 673.33
• IUPAC Name: 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• SMILES: Cc1ccc(C(c2ccc(F)cc2)N2CCN(C3CC(c4nc(-c5ccc6ccc(-c7ccccc7)nc6c5)c5c(N)nccn45)C3)CC2)cc1
• InChI: InChI=1S/C43H40FN7/c1-28-7-9-31(10-8-28)40(32-13-16-35(44)17-14-32)50-23-21-49(22-24-50)36-25-34(26-36)43-48-39(41-42(45)46-19-20-51(41)43)33-12-11-30-15-18-37(47-38(30)27-33)29-5-3-2-4-6-29/h2-20,27,34,36,40H,21-26H2,1H3,(H2,45,46)
• InChIKey: QABIZRIGDUQCRI-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 75.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.84
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 130349045) is 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Cc1ccc(C(c2ccc(F)cc2)N2CCN(C3CC(c4nc(-c5ccc6ccc(-c7ccccc7)nc6c5)c5c(N)nccn45)C3)CC2)cc1.

What is the InChIKey of 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is QABIZRIGDUQCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40FN7/c1-28-7-9-31(10-8-28)40(32-13-16-35(44)17-14-32)50-23-21-49(22-24-50)36-25-34(26-36)43-48-39(41-42(45)46-19-20-51(41)43)33-12-11-30-15-18-37(47-38(30)27-33)29-5-3-2-4-6-29/h2-20,27,34,36,40H,21-26H2,1H3,(H2,45,46).

What are the key properties of 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 673.84 g/mol, XLogP of 8.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 130349045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).