6-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F248-0085 |
| Compound Name: | 6-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C22 H19 F N6 O3 S2 |
| Smiles: | C1C(c2ccc(cc2)F)N(C(CSC2NC(c3cnn(CCO)c3N=2)=O)=O)N=C1c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6657 |
| logD: | 2.6346 |
| logSw: | -3.0661 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.86 |
| InChI Key: | PCDBEDKMADMMPI-QGZVFWFLSA-N |