1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-methylpropan-1-one
1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | V010-4335 |
| Compound Name: | 1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C25 H33 F N6 O |
| Smiles: | CC(C)CCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCN(CC1)C(C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0612 |
| logD: | 4.4029 |
| logSw: | -4.8192 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.693 |
| InChI Key: | XNPPVPMDJNQFMS-UHFFFAOYSA-N |