N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-methyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-methyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-methyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanamide
Compound characteristics
| Compound ID: | Y505-3103 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-methyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanamide |
| Molecular Weight: | 449.45 |
| Molecular Formula: | C20 H18 F3 N5 O2 S |
| Smiles: | Cn1cc2C(=CC(N(CCC(Nc3c(C#N)c4CCCCc4s3)=O)c2n1)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.6804 |
| logD: | 0.9064 |
| logSw: | -3.2042 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.386 |
| InChI Key: | VBRKVRINBDDLPE-UHFFFAOYSA-N |