N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(2-fluorophenoxy)acetamide
Chemical Structure Depiction of
N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(2-fluorophenoxy)acetamide
N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(2-fluorophenoxy)acetamide
Compound characteristics
| Compound ID: | F614-0447 |
| Compound Name: | N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(2-fluorophenoxy)acetamide |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C25 H22 F N7 O2 |
| Smiles: | Cc1cccc(c1C)n1c2c(cn1)c(ncn2)n1c(cc(C)n1)NC(COc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6366 |
| logD: | 4.6346 |
| logSw: | -4.282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.812 |
| InChI Key: | JEKSVBUGVPOTRK-UHFFFAOYSA-N |