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Basic information
- Standard SMILES
C[C@H](O)CONC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1C- InChIKey
IKPJTKHQGNHRNX-JTQLQIEISA-N- Molecular formula
- C18H18FIN4O3
- Average molar mass
- 484.3 g/mol
- Monoisotopic mass
- 484.04077
Names & identifiers
- Preferred name
- 3-(2-Fluoro-4-iodo-phenylamino)-1-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid ((S)-2-hydroxy-propoxy)-amide
- IUPAC
- 3-(2-fluoro-4-iodoanilino)-N-[(2S)-2-hydroxypropoxy]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
Names & synonyms
SCHEMBL1920429IKPJTKHQGNHRNX-JTQLQIEISA-N3-(2-Fluoro-4-iodo-phenylamino)-1-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid ((S)-2-hydroxy-propoxy)-amide3-(2-Fluoro-4-iodo-phenylamino)-1-methyl-1H-pyrrolo[32-c]pyridine-2-carboxylic acid ((S)-2-hydroxy-propoxy)-amide
Database identifiers
- PubChem CID
- 24948321
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 517
Related reactions
1 records
Compound notes
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