4-(5-chlorothiophene-2-carbonyl)-1-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(5-chlorothiophene-2-carbonyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1385 |
| Compound Name: | 4-(5-chlorothiophene-2-carbonyl)-1-(2,3-dimethylphenyl)-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: | Cc1cccc(c1C)n1c2c(C(CC(N2)=O)C(c2ccc(s2)[Cl])=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3776 |
| logD: | 4.138 |
| logSw: | -4.4458 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.547 |
| InChI Key: | LMSXHYLXCOJSNK-CYBMUJFWSA-N |