methyl N-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}valinate
Chemical Structure Depiction of
methyl N-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}valinate
methyl N-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}valinate
Compound characteristics
| Compound ID: | C561-2080 |
| Compound Name: | methyl N-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}valinate |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C26 H34 N4 O3 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1c(C)c2c(C)nn(c3ccc(C)c(C)c3)c2nc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.039 |
| logD: | 5.0266 |
| logSw: | -4.831 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.208 |
| InChI Key: | FMHIYRHAQCGMLT-DEOSSOPVSA-N |