1-[(2S,4R)-4-hydroxy-2-{7-[(6-methoxypyridin-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[(2S,4R)-4-hydroxy-2-{7-[(6-methoxypyridin-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-1-yl]-2-methylpropan-1-one
1-[(2S,4R)-4-hydroxy-2-{7-[(6-methoxypyridin-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S625-0823 |
| Compound Name: | 1-[(2S,4R)-4-hydroxy-2-{7-[(6-methoxypyridin-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C20 H28 N6 O3 |
| Smiles: | CC(C)C(N1C[C@@H](C[C@H]1c1nnc2CN(CCn12)Cc1cccc(n1)OC)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6745 |
| logD: | 0.6701 |
| logSw: | -1.3605 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.596 |
| InChI Key: | MILHAROJVDOKGX-HOTGVXAUSA-N |