N-(4-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-2060 |
| Compound Name: | N-(4-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C29 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | CCc1nc(c2c(C)nn(c3ccccc3C)c2n1)NC1CCC(CC1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0306 |
| logD: | 4.7704 |
| logSw: | -4.8567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.941 |
| InChI Key: | CVWGOHYUDIOIOY-UHFFFAOYSA-N |