{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(4-fluorophenyl)methanone
Chemical Structure Depiction of
{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(4-fluorophenyl)methanone
{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(4-fluorophenyl)methanone
Compound characteristics
| Compound ID: | V002-4929 |
| Compound Name: | {4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(4-fluorophenyl)methanone |
| Molecular Weight: | 507.01 |
| Molecular Formula: | C27 H28 Cl F N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCN(CC1)C(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2492 |
| logD: | 6.1261 |
| logSw: | -6.3107 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.069 |
| InChI Key: | YYXMSAPQIVAQCD-UHFFFAOYSA-N |