N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenyl)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-ethoxyphenyl)acetamide
N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F614-0549 |
| Compound Name: | N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 481.56 |
| Molecular Formula: | C27 H27 N7 O2 |
| Smiles: | CCOc1ccc(CC(Nc2cc(C)nn2c2c3cnn(c4ccc(C)cc4C)c3ncn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9871 |
| logD: | 4.9847 |
| logSw: | -4.5483 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.35 |
| InChI Key: | DXHCNVLMOXQQJH-UHFFFAOYSA-N |