Basic information
- Standard SMILES
COC(=O)[C@@H](O)CN1CCC(CCOc2ccc(-c3cc4c(nnn4C)c(C#N)n3)cc2C(F)(F)F)CC1- InChIKey
YWAUKHSSBHIGFF-NRFANRHFSA-N- Molecular formula
- C25H27F3N6O4
- Average molar mass
- 532.5 g/mol
Names & identifiers
- Preferred name
- (S)-methyl 3-(4-(2-(4-(4-cyano-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-6-yl)-2-(trifluoro-methyl)phenoxy)ethyl)piperidin-1-yl)-2-hydroxypropanoate
- IUPAC
- methyl (2S)-3-[4-[2-[4-(4-cyano-1-methyltriazolo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]-2-hydroxypropanoate
Names & synonyms
(S)-methyl 3-(4-(2-(4-(4-cyano-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-6-yl)-2-(trifluoro-methyl)phenoxy)ethyl)piperidin-1-yl)-2-hydroxypropanoateSCHEMBL13584259
Database identifiers
- PubChem CID
- 70945180
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 849
Related reactions
1 records
Compound notes
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