1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(thiophen-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(thiophen-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(thiophen-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-1056 |
| Compound Name: | 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(thiophen-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C20 H15 Cl N6 O S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccc(cc2)[Cl])n1)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5997 |
| logD: | 3.5991 |
| logSw: | -4.1156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.393 |
| InChI Key: | RWTRAODDIYWPHT-CQSZACIVSA-N |