1-[3-{(2S,4S)-4-hydroxy-1-[(1-methyl-1H-indol-3-yl)methyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[3-{(2S,4S)-4-hydroxy-1-[(1-methyl-1H-indol-3-yl)methyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
1-[3-{(2S,4S)-4-hydroxy-1-[(1-methyl-1H-indol-3-yl)methyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S904-1864 |
| Compound Name: | 1-[3-{(2S,4S)-4-hydroxy-1-[(1-methyl-1H-indol-3-yl)methyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | CC(C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1Cc1cn(C)c2ccccc12)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1845 |
| logD: | 0.5934 |
| logSw: | -1.7891 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.766 |
| InChI Key: | UPKILXZWDHEUSQ-XLIONFOSSA-N |