Basic information
- Standard SMILES
Cc1ccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ncccc34)cc2)cc1C(F)(F)F- InChIKey
HZMQKLDKHZFKPS-UHFFFAOYSA-N- Molecular formula
- C23H18F3N5O2
- Average molar mass
- 453.4 g/mol
Names & identifiers
- Preferred name
- 3-{4-[3-(4-methyl-3-trifluoromethylphenyl)ureido]-phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
- IUPAC
- 3-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
Names & synonyms
3-{4-[3-(4-methyl-3-trifluoromethylphenyl)ureido]-phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamideSCHEMBL1880839
Database identifiers
- PubChem CID
- 57445310
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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