4-[6-(2H-1,3-benzodioxol-5-yl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
Chemical Structure Depiction of
4-[6-(2H-1,3-benzodioxol-5-yl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
4-[6-(2H-1,3-benzodioxol-5-yl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | Y504-6778 |
| Compound Name: | 4-[6-(2H-1,3-benzodioxol-5-yl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid |
| Molecular Weight: | 423.37 |
| Molecular Formula: | C22 H15 F2 N3 O4 |
| Smiles: | Cc1c2c(cc(c3ccc4c(c3)OCO4)nc2n(c2ccc(cc2)C(O)=O)n1)C(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6934 |
| logD: | 1.8072 |
| logSw: | -4.6497 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.886 |
| InChI Key: | WENBYUABUPJUPH-UHFFFAOYSA-N |