2-(1-acetylpiperidin-4-yl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(1-acetylpiperidin-4-yl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
2-(1-acetylpiperidin-4-yl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | S625-1972 |
| Compound Name: | 2-(1-acetylpiperidin-4-yl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C19 H30 N6 O3 |
| Smiles: | CC(N1CCC(CC1)CC(N1CCn2c(C1)nnc2[C@@H]1C[C@H](CN1C)O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.1376 |
| logD: | -1.184 |
| logSw: | -0.2337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.782 |
| InChI Key: | KHYBVKJKXWPOML-HOTGVXAUSA-N |