N-(2-{[1-phenyl-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[1-phenyl-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[1-phenyl-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-9572 |
| Compound Name: | N-(2-{[1-phenyl-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C24 H24 N6 O3 |
| Smiles: | CC(C)c1nc(c2cnn(c3ccccc3)c2n1)NCCNC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9191 |
| logD: | 3.8989 |
| logSw: | -3.9175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.594 |
| InChI Key: | RFTHDYVVLWUUIH-UHFFFAOYSA-N |