Molecule ID: 4878

IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Description: The molecule is a member of the class of pyrazolopyrimidine that is pyrazolo[3,4-d]pyrimidin-4-amine bearing additional tert-butyl and 4-chlorophenyl substituents at positions 1 and 3 respectively. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor and a beta-adrenergic antagonist. It is a pyrazolopyrimidine, an aromatic amine and a member of monochlorobenzenes.

SMILES: CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][P]

InChI: InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 3.0