6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C099-0332 |
| Compound Name: | 6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C25 H24 F N5 O2 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(CSC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3725 |
| logD: | 4.3096 |
| logSw: | -4.2929 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.573 |
| InChI Key: | GDQYNVMXUSBYCO-UHFFFAOYSA-N |