N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-3,3-dimethylbutanamide
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | F614-0196 |
| Compound Name: | N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-3,3-dimethylbutanamide |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C21 H22 Cl N7 O |
| Smiles: | Cc1cc(NC(CC(C)(C)C)=O)n(c2c3cnn(c4cccc(c4)[Cl])c3ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4958 |
| logD: | 4.4935 |
| logSw: | -4.444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.799 |
| InChI Key: | JJHNWMTZMSSMEP-UHFFFAOYSA-N |