{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(2,4-dichlorophenyl)methanone
Chemical Structure Depiction of
{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(2,4-dichlorophenyl)methanone
{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(2,4-dichlorophenyl)methanone
Compound characteristics
| Compound ID: | V019-8822 |
| Compound Name: | {4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(2,4-dichlorophenyl)methanone |
| Molecular Weight: | 541.46 |
| Molecular Formula: | C27 H27 Cl2 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCN(CC1)C(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2192 |
| logD: | 5.6734 |
| logSw: | -6.127 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.422 |
| InChI Key: | YRSIQZDLIASBIS-UHFFFAOYSA-N |