methyl 2-{2-[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4-ethyl-5-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4-ethyl-5-methylthiophene-3-carboxylate
methyl 2-{2-[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4-ethyl-5-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-5956 |
| Compound Name: | methyl 2-{2-[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4-ethyl-5-methylthiophene-3-carboxylate |
| Molecular Weight: | 454.47 |
| Molecular Formula: | C20 H21 F3 N4 O3 S |
| Smiles: | CCc1c(C(=O)OC)c(NC(Cn2c3c(c(cc(C)n3)C(F)(F)F)c(C)n2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.0288 |
| logD: | 1.7398 |
| logSw: | -4.5002 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.422 |
| InChI Key: | WGBKSLVVUIFAIV-UHFFFAOYSA-N |