1-(2,4-dimethylphenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(2,4-dimethylphenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(2,4-dimethylphenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1157 |
| Compound Name: | 1-(2,4-dimethylphenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | CCc1ccc(C(C2CC(Nc3c2c(C)nn3c2ccc(C)cc2C)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8403 |
| logD: | 4.7699 |
| logSw: | -4.5943 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.547 |
| InChI Key: | VRCZPQMIJUQRQY-MRXNPFEDSA-N |