(2R,3R)-2-(2,4-difluorophenyl)-3-(5,6-dimethyl-3',6'-dihydro-2,4'-bipyridin-1'(2'H)-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Basic information
- Standard SMILES
Cc1ccc(C2=CCN([C@H](C)[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)nc1C- InChIKey
IKAWCKKNKKKCOJ-HOYKHHGWSA-N- Molecular formula
- C24H27F2N5O
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.21836683
Names & identifiers
- Preferred name
- (2R,3R)-2-(2,4-difluorophenyl)-3-(5,6-dimethyl-3',6'-dihydro-2,4'-bipyridin-1'(2'H)-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
- IUPAC
- (2R,3R)-2-(2,4-difluorophenyl)-3-[4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
Names & synonyms
SCHEMBL2175921IKAWCKKNKKKCOJ-HOYKHHGWSA-N(2R,3R)-2-(2,4-difluorophenyl)-3-(5,6-dimethyl-3',6'-dihydro-2,4'-bipyridin-1'(2'H)-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Database identifiers
- PubChem CID
- 44538604
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 666
Related reactions
1 records
Compound notes
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