methyl 2-{2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y504-5741 |
| Compound Name: | methyl 2-{2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 492.52 |
| Molecular Formula: | C23 H23 F3 N4 O3 S |
| Smiles: | Cc1c2c(cc(C3CC3)nc2n(CC(Nc2c(C(=O)OC)c3CCCCc3s2)=O)n1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.002 |
| logD: | 2.7335 |
| logSw: | -4.9026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.788 |
| InChI Key: | RWIQPWQDVZGOLZ-UHFFFAOYSA-N |