N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide
N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | F614-0152 |
| Compound Name: | N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 497.87 |
| Molecular Formula: | C23 H15 Cl F3 N7 O |
| Smiles: | Cc1cc(NC(c2ccc(cc2)C(F)(F)F)=O)n(c2c3cnn(c4ccc(cc4)[Cl])c3ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2645 |
| logD: | 5.2455 |
| logSw: | -5.9002 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.741 |
| InChI Key: | QMKHWBRZCVGWSA-UHFFFAOYSA-N |