N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-4-methylbenzamide
N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | V001-4085 |
| Compound Name: | N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-4-methylbenzamide |
| Molecular Weight: | 489.02 |
| Molecular Formula: | C27 H29 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(NC1CCC(CC1)Nc1c2c(C)nn(c3ccccc3[Cl])c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0802 |
| logD: | 4.9911 |
| logSw: | -5.4069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.448 |
| InChI Key: | XAEOVVQSXMTZRI-UHFFFAOYSA-N |