2-(4-fluorophenoxy)-1-{3-[(2S,4S)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-{3-[(2S,4S)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
2-(4-fluorophenoxy)-1-{3-[(2S,4S)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | S904-0055 |
| Compound Name: | 2-(4-fluorophenoxy)-1-{3-[(2S,4S)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C20 H26 F N5 O3 |
| Smiles: | CC(C)N1C[C@H](C[C@H]1c1nnc2CN(CCn12)C(COc1ccc(cc1)F)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.5971 |
| logD: | 0.4605 |
| logSw: | -1.4653 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.065 |
| InChI Key: | HMNBXTMUSGKMIB-WBVHZDCISA-N |