Basic information
- Standard SMILES
COc1nc(-c2nnc3n2CCC[C@]3(Oc2cc(F)c(F)c(F)c2)C(C)(C)O)ccc1-n1cnc(C)c1- InChIKey
WWFFQXDRJZKGDS-RUZDIDTESA-N- Molecular formula
- C25H25F3N6O3
- Average molar mass
- 514.5 g/mol
Names & identifiers
- Preferred name
- 2-{(8R)-3-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]-8-(3,4,5-trifluorophenoxy)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
- IUPAC
- 2-[(8R)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(3,4,5-trifluorophenoxy)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
Names & synonyms
SCHEMBL138076WWFFQXDRJZKGDS-RUZDIDTESA-N2-{(8R)-3-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]-8-(3,4,5-trifluorophenoxy)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
Database identifiers
- PubChem CID
- 56929645
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 789
Related reactions
7 records
Compound notes
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