1-[5-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | D361-0888 |
| Compound Name: | 1-[5-(4-methoxyphenyl)-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: | 418.48 |
| Molecular Formula: | C21 H18 N6 O2 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccc(cc2)OC)n1)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9873 |
| logD: | 2.9868 |
| logSw: | -3.2609 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.937 |
| InChI Key: | KXPLNHUTXDYJMK-HNNXBMFYSA-N |