(3R,5S)-1-methyl-5-{7-[(1-methyl-1H-indol-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Chemical Structure Depiction of
(3R,5S)-1-methyl-5-{7-[(1-methyl-1H-indol-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
(3R,5S)-1-methyl-5-{7-[(1-methyl-1H-indol-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-0483 |
| Compound Name: | (3R,5S)-1-methyl-5-{7-[(1-methyl-1H-indol-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C20 H26 N6 O |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)Cc1cn(C)c2ccccc12)O |
| Stereo: | ABSOLUTE |
| logP: | 0.3304 |
| logD: | 0.1285 |
| logSw: | -0.9343 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.565 |
| InChI Key: | NSHWBCGQIKFNAU-QAPCUYQASA-N |