1-[3-{(2S,4R)-4-hydroxy-1-[(pyridin-4-yl)methyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-[3-{(2S,4R)-4-hydroxy-1-[(pyridin-4-yl)methyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3,3-dimethylbutan-1-one
1-[3-{(2S,4R)-4-hydroxy-1-[(pyridin-4-yl)methyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | S625-1339 |
| Compound Name: | 1-[3-{(2S,4R)-4-hydroxy-1-[(pyridin-4-yl)methyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3,3-dimethylbutan-1-one |
| Molecular Weight: | 398.51 |
| Molecular Formula: | C21 H30 N6 O2 |
| Smiles: | CC(C)(C)CC(N1CCn2c(C1)nnc2[C@@H]1C[C@H](CN1Cc1ccncc1)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4919 |
| logD: | 0.4674 |
| logSw: | -1.0111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.107 |
| InChI Key: | PKIYINRTDBHGOR-IRXDYDNUSA-N |