(3R,5S)-1-benzyl-5-{7-[(1-methyl-1H-indol-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Chemical Structure Depiction of
(3R,5S)-1-benzyl-5-{7-[(1-methyl-1H-indol-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
(3R,5S)-1-benzyl-5-{7-[(1-methyl-1H-indol-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-0607 |
| Compound Name: | (3R,5S)-1-benzyl-5-{7-[(1-methyl-1H-indol-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C26 H30 N6 O |
| Smiles: | Cn1cc(CN2CCn3c(C2)nnc3[C@@H]2C[C@H](CN2Cc2ccccc2)O)c2ccccc12 |
| Stereo: | ABSOLUTE |
| logP: | 2.0618 |
| logD: | 1.8599 |
| logSw: | -1.8486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.579 |
| InChI Key: | FAXPLQXLRIACPG-QPPBQGQZSA-N |