N-(2-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-2610 |
| Compound Name: | N-(2-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C25 H26 N6 O3 |
| Smiles: | CCc1nc(c2c(C)nn(c3ccccc3C)c2n1)NCCNC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.769 |
| logD: | 3.4334 |
| logSw: | -4.2105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.637 |
| InChI Key: | FKYMAZKRUKVBCG-UHFFFAOYSA-N |