N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L094-3133 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C26 H26 N6 O3 |
| Smiles: | Cc1ccc(cc1)n1cc2c(ncnc2n1)N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7962 |
| logD: | 3.7888 |
| logSw: | -3.7161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.137 |
| InChI Key: | XIOQIOVMBHFJRW-UHFFFAOYSA-N |