Basic information
- Standard SMILES
Cc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3cc(F)c(CO)c(F)c3)c(-c3ccc(Cl)cc3)ccn2c1=O- InChIKey
CBBPQCQBLGFQRW-UHFFFAOYSA-N- Molecular formula
- C27H18ClF5N4O2
- Average molar mass
- 560.9 g/mol
- Monoisotopic mass
- 560.1038443
Names & identifiers
- Preferred name
- 7-(4-chlorophenyl)-8-(3,5-difluoro-4-(hydroxymethyl)phenyl)-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 7-(4-chlorophenyl)-8-[3,5-difluoro-4-(hydroxymethyl)phenyl]-2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
7-(4-chlorophenyl)-8-(3,5-difluoro-4-(hydroxymethyl)phenyl)-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4480157
Database identifiers
- PubChem CID
- 16005201
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
2 records
Compound notes
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