1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-4-(1H-indol-3-yl)butan-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}-4-(1H-indol-3-yl)butan-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}-4-(1H-indol-3-yl)butan-1-one
Compound characteristics
| Compound ID: | S625-0018 |
| 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}-4-(1H-indol-3-yl)butan-1-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(CCCc1c[nH]c2ccccc12)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.532 |
| logD: | 0.4857 |
| logSw: | -2.0001 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.265 |
| InChI Key: | CKNNQSHQNUOCIE-LPHOPBHVSA-N |