1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(3-propoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(3-propoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(3-propoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-1153 |
| Compound Name: | 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(3-propoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C26 H26 N6 O3 |
| Smiles: | CCCOc1cccc(c1)C1CC(Nc2c1c(C)nn2c1nc(cnn1)c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3174 |
| logD: | 4.3168 |
| logSw: | -4.2554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.336 |
| InChI Key: | RJHJMCDFQMJCKI-NRFANRHFSA-N |