ethyl 4-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}piperazine-1-carboxylate
ethyl 4-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C561-2068 |
| Compound Name: | ethyl 4-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}piperazine-1-carboxylate |
| Molecular Weight: | 477.61 |
| Molecular Formula: | C27 H35 N5 O3 |
| Smiles: | CCOC(N1CCN(CC1)C(CCc1c(C)c2c(C)nn(c3ccc(C)c(C)c3)c2nc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4925 |
| logD: | 4.4801 |
| logSw: | -4.5616 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.112 |
| InChI Key: | PPAQZFHJOYDKQD-UHFFFAOYSA-N |