N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(difluoromethyl)-2,3-dimethyl-6-oxo-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-[4-(difluoromethyl)-2,3-dimethyl-6-oxo-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-[4-(difluoromethyl)-2,3-dimethyl-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanamide
Compound characteristics
| Compound ID: | Y505-3002 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(difluoromethyl)-2,3-dimethyl-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanamide |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H21 F2 N5 O2 S |
| Smiles: | Cc1c2C(=CC(N(CCC(Nc3c(C#N)c4CCCCc4s3)=O)c2nn1C)=O)C(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.3658 |
| logD: | 0.5918 |
| logSw: | -2.7035 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.063 |
| InChI Key: | HRHLMWWDPCXKQG-UHFFFAOYSA-N |