N-(4-chlorophenyl)-4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine-1-carboxamide
N-(4-chlorophenyl)-4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V006-9102 |
| Compound Name: | N-(4-chlorophenyl)-4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine-1-carboxamide |
| Molecular Weight: | 570.07 |
| Molecular Formula: | C31 H29 Cl F N7 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCN(CC2)C(Nc2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5658 |
| logD: | 6.464 |
| logSw: | -6.3995 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.971 |
| InChI Key: | RJNKVEICLVTDHH-UHFFFAOYSA-N |