1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one
Chemical Structure Depiction of
1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one
1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one
Compound characteristics
Compound ID: | S625-5788 |
Compound Name: | 1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one |
Molecular Weight: | 422.49 |
Molecular Formula: | C22 H26 N6 O3 |
Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(CCc1conc1c1ccccc1)=O)O |
Stereo: | ABSOLUTE |
logP: | 0.2797 |
logD: | 0.2333 |
logSw: | -1.4857 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.394 |
InChI Key: | GMNFZZIRNIENHM-MSOLQXFVSA-N |