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Basic information
- Standard SMILES
Cc1cc(C(C)N2Cc3c(ccnc3C(=O)O)C2=O)cnc1OCC(F)(F)F- InChIKey
JTFDSTSAPQZGPD-UHFFFAOYSA-N- Molecular formula
- C18H16F3N3O4
- Average molar mass
- 395.3 g/mol
Names & identifiers
- Preferred name
- 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-carboxylic acid
- IUPAC
- 2-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridine-4-carboxylic acid
Names & synonyms
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-carboxylic acidSCHEMBL15351089
Database identifiers
- PubChem CID
- 89874841
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 603
Related reactions
2 records
Compound notes
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