(3S,5S)-1-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol
Chemical Structure Depiction of
(3S,5S)-1-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol
(3S,5S)-1-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S904-1722 |
| Compound Name: | (3S,5S)-1-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol |
| Molecular Weight: | 423.52 |
| Molecular Formula: | C22 H29 N7 O2 |
| Smiles: | CN1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1Cc1ccc(c(Cn2ccnc2)c1)OC)O |
| Stereo: | ABSOLUTE |
| logP: | -0.1672 |
| logD: | -0.1778 |
| logSw: | -1.1555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.136 |
| InChI Key: | JIHIQCJYTXUJSH-MOPGFXCFSA-N |