Basic information
- Standard SMILES
CCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2ccc(C(F)(F)F)cc12- InChIKey
XEFYKGRYJCTJKB-UHFFFAOYSA-N- Molecular formula
- C22H18F3N5O
- Average molar mass
- 425.4 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-2-pyridin-2-yl-pyrimidine-5-carboxylic acid (3-ethyl-5-trifluoromethyl-indol-1-yl)-amide
- IUPAC
- N-[3-ethyl-5-(trifluoromethyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
Names & synonyms
4-methyl-2-pyridin-2-yl-pyrimidine-5-carboxylic acid (3-ethyl-5-trifluoromethyl-indol-1-yl)-amideSCHEMBL12083840
Database identifiers
- PubChem CID
- 59200028
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 633
Related reactions
2 records
Compound notes
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