Basic information
- Standard SMILES
COC(=O)c1nccc2c1CN(C(C)c1cnc(OCC(F)(F)F)c(C)c1)C2=O- InChIKey
VNEOLHOKHKJQIU-UHFFFAOYSA-N- Molecular formula
- C19H18F3N3O4
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.12494055
Names & identifiers
- Preferred name
- methyl 2-(1-(5-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)ethyl)-1-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxylate
- IUPAC
- methyl 2-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridine-4-carboxylate
Names & synonyms
methyl 2-(1-(5-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)ethyl)-1-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxylateSCHEMBL15350411
Database identifiers
- PubChem CID
- 89874191
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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