N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-3-methylbenzamide
Chemical Structure Depiction of
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-3-methylbenzamide
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-3-methylbenzamide
Compound characteristics
| Compound ID: | F614-0218 |
| Compound Name: | N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-3-methylbenzamide |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C23 H18 Cl N7 O |
| Smiles: | Cc1cccc(c1)C(Nc1cc(C)nn1c1c2cnn(c3cccc(c3)[Cl])c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8026 |
| logD: | 4.7524 |
| logSw: | -4.8015 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.741 |
| InChI Key: | WWSKVDLNEWNAFK-UHFFFAOYSA-N |