Molecule ID: 16214946

IUPAC Name: 3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

Description: The molecule is a member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazin-8-amine carrying additional 2-phenylquinolin-7-yl and 3-(4-methylpiperazin-1-yl)cyclobutyl groups at positions 1 and 3 respectively. It is an inhibitor of insulin growth factor 1 receptor (IGF-1 receptor, IGFR1R) tyrosine kinase. It has a role as an insulin-like growth factor receptor 1 antagonist and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is an imidazopyrazine, a member of quinolines, a N-alkylpiperazine, an aromatic amine and a primary amino compound.

SMILES: CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(=N)[nH]ccn34)C2)CC1

SELFIES: [C][N][C][C][N][Branch2][Branch1][#Branch1][C][C][C][Branch2][Ring2][=N][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][N][=C][Ring1][S][=C][C][=Branch1][C][=N][NH1][C][=C][N][Ring2][Ring1][#Branch2][Ring1][#Branch1][C][Ring2][Ring1][=C][C][C][Ring2][Ring2][Ring2]

InChI: InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)

Molecular Properties:
- Polar Surface Area: 75.6 Ų
- LogP: 4.5