1-(3-chlorophenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chlorophenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-0150 |
| Compound Name: | 1-(3-chlorophenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C20 H18 Cl N3 O2 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2cccc(c2)[Cl])n1)=O)C(c1cc(C)sc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0673 |
| logD: | 4.065 |
| logSw: | -4.3781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.848 |
| InChI Key: | NAVJUQIRJPPUEN-INIZCTEOSA-N |