(3R,5S)-5-{7-[(4-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol
Chemical Structure Depiction of
(3R,5S)-5-{7-[(4-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol
(3R,5S)-5-{7-[(4-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-0641 |
| Compound Name: | (3R,5S)-5-{7-[(4-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol |
| Molecular Weight: | 411.53 |
| Molecular Formula: | C20 H25 N7 O S |
| Smiles: | Cc1c(CN2CCn3c(C2)nnc3[C@@H]2C[C@H](CN2Cc2cccnc2)O)scn1 |
| Stereo: | ABSOLUTE |
| logP: | -0.2018 |
| logD: | -0.2032 |
| logSw: | -0.7424 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.742 |
| InChI Key: | YDJVCYNVNQELSU-IRXDYDNUSA-N |