N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide
N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | F614-0430 |
| Compound Name: | N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 491.47 |
| Molecular Formula: | C25 H20 F3 N7 O |
| Smiles: | Cc1cccc(c1C)n1c2c(cn1)c(ncn2)n1c(cc(C)n1)NC(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5646 |
| logD: | 5.5442 |
| logSw: | -5.5577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.44 |
| InChI Key: | PDTKVRFFXXMGAD-UHFFFAOYSA-N |