N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-ethylbutanamide
Chemical Structure Depiction of
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-ethylbutanamide
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-ethylbutanamide
Compound characteristics
| Compound ID: | F614-0197 |
| Compound Name: | N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-ethylbutanamide |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C21 H22 Cl N7 O |
| Smiles: | CCC(CC)C(Nc1cc(C)nn1c1c2cnn(c3cccc(c3)[Cl])c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3864 |
| logD: | 4.3839 |
| logSw: | -4.2868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.012 |
| InChI Key: | XCVIAKQWTZATQZ-UHFFFAOYSA-N |