N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-3-methoxybenzamide
Chemical Structure Depiction of
N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-3-methoxybenzamide
N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-3-methoxybenzamide
Compound characteristics
| Compound ID: | V001-4121 |
| Compound Name: | N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-3-methoxybenzamide |
| Molecular Weight: | 505.02 |
| Molecular Formula: | C27 H29 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1c2c(NC3CCC(CC3)NC(c3cccc(c3)OC)=O)nc(C)nc2n(c2ccccc2[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 4.719 |
| logD: | 4.6299 |
| logSw: | -4.9677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.991 |
| InChI Key: | PPRXDPSJRUHVNZ-UHFFFAOYSA-N |