methyl 2-{2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate
methyl 2-{2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y504-5738 |
| Compound Name: | methyl 2-{2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 466.48 |
| Molecular Formula: | C21 H21 F3 N4 O3 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(Cn2c3c(c(cc(C4CC4)n3)C(F)(F)F)c(C)n2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.5444 |
| logD: | 2.2348 |
| logSw: | -4.7082 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.867 |
| InChI Key: | HMIPCHVTWZSFDK-UHFFFAOYSA-N |