N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenoxy)acetamide
Chemical Structure Depiction of
N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenoxy)acetamide
N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenoxy)acetamide
Compound characteristics
| Compound ID: | F614-0539 |
| Compound Name: | N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenoxy)acetamide |
| Molecular Weight: | 497.56 |
| Molecular Formula: | C27 H27 N7 O3 |
| Smiles: | CCOc1ccc(cc1)OCC(Nc1cc(C)nn1c1c2cnn(c3ccc(C)cc3C)c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1325 |
| logD: | 5.1316 |
| logSw: | -4.9257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.849 |
| InChI Key: | YYEAGZUNTMQSCF-UHFFFAOYSA-N |