4-(5-chlorothiophene-2-carbonyl)-1-(2,4-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(5-chlorothiophene-2-carbonyl)-1-(2,4-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(5-chlorothiophene-2-carbonyl)-1-(2,4-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1277 |
| Compound Name: | 4-(5-chlorothiophene-2-carbonyl)-1-(2,4-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 407.82 |
| Molecular Formula: | C18 H12 Cl F2 N3 O2 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc(cc2F)F)n1)=O)C(c1ccc(s1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4654 |
| logD: | 3.0179 |
| logSw: | -3.9365 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.547 |
| InChI Key: | SHTXJQZVJQFQEO-SNVBAGLBSA-N |