(3R,5S)-5-{7-[(1-ethyl-5-methyl-1H-pyrazol-4-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-[(1-ethyl-5-methyl-1H-pyrazol-4-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-[(1-ethyl-5-methyl-1H-pyrazol-4-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: | S625-0663 |
| Compound Name: | (3R,5S)-5-{7-[(1-ethyl-5-methyl-1H-pyrazol-4-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: | 422.53 |
| Molecular Formula: | C22 H30 N8 O |
| Smiles: | CCn1c(C)c(CN2CCn3c(C2)nnc3[C@@H]2C[C@H](CN2Cc2cccnc2)O)cn1 |
| Stereo: | ABSOLUTE |
| logP: | -0.5697 |
| logD: | -2.3788 |
| logSw: | -0.0571 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.462 |
| InChI Key: | DUDCFRVASZGSHO-UXHICEINSA-N |