N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide
Compound characteristics
| Compound ID: | Y501-2814 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide |
| Molecular Weight: | 477.88 |
| Molecular Formula: | C23 H17 Cl F N7 O2 |
| Smiles: | C(C(Nc1ccn(Cc2c(cccc2[Cl])F)n1)=O)N1C=Nc2c(cnn2c2ccccc2)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1387 |
| logD: | 3.1382 |
| logSw: | -3.7157 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.395 |
| InChI Key: | SWRRFRBLKLWXII-UHFFFAOYSA-N |