1-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chloro-4-methylphenyl)-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: | J013-0153 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 413.92 |
| Molecular Formula: | C21 H20 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])n1c2c(C(CC(N2)=O)C(c2cc(C)sc2C)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6826 |
| logD: | 4.6804 |
| logSw: | -4.8351 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.848 |
| InChI Key: | DZDDEZJUYDUPOB-INIZCTEOSA-N |