methyl N-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}valinate
Chemical Structure Depiction of
methyl N-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}valinate
methyl N-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}valinate
Compound characteristics
| Compound ID: | C987-0123 |
| Compound Name: | methyl N-{3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanoyl}valinate |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C25 H32 N4 O3 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1c(C)c2c(C)nn(c3ccc(C)cc3)c2nc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3348 |
| logD: | 4.3326 |
| logSw: | -4.5013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.208 |
| InChI Key: | RLYJFWXQQUNVJH-QHCPKHFHSA-N |