1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L094-3166 |
| Compound Name: | 1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C26 H28 N6 O S |
| Smiles: | Cc1ccc(cc1)n1cc2c(ncnc2n1)N1CCC(CC1)C(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6024 |
| logD: | 4.595 |
| logSw: | -4.0887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.022 |
| InChI Key: | VAOIRQAZLRGVJA-UHFFFAOYSA-N |