{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}[4-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}[4-(trifluoromethyl)phenyl]methanone
{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}[4-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | V027-0679 |
| Compound Name: | {4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}[4-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 554.59 |
| Molecular Formula: | C29 H30 F4 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2827 |
| logD: | 5.6244 |
| logSw: | -5.891 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.422 |
| InChI Key: | KRVYJCJQUCXUMB-UHFFFAOYSA-N |