(3S,5S)-5-{7-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(propan-2-yl)pyrrolidin-3-ol
Chemical Structure Depiction of
(3S,5S)-5-{7-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(propan-2-yl)pyrrolidin-3-ol
(3S,5S)-5-{7-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(propan-2-yl)pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S904-0123 |
| Compound Name: | (3S,5S)-5-{7-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(propan-2-yl)pyrrolidin-3-ol |
| Molecular Weight: | 373.5 |
| Molecular Formula: | C19 H31 N7 O |
| Smiles: | CCn1cc(CN2CCn3c(C2)nnc3[C@@H]2C[C@@H](CN2C(C)C)O)c(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.0374 |
| logD: | -1.7717 |
| logSw: | -0.0325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.032 |
| InChI Key: | VWIJDPILZDVEHF-DLBZAZTESA-N |