Basic information
- Standard SMILES
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnn(-c5ncccn5)c4)cc23)c1F- InChIKey
XQSNPWVOSGNWSV-UHFFFAOYSA-N- Molecular formula
- C24H19F2N7O3S
- Average molar mass
- 523.5 g/mol
Names & identifiers
- Preferred name
- propane-1-sulfonic acid {2,4-difluoro-3-[5-(1-pyrimidin-2-yl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-phenyl}-amide
- IUPAC
- N-[2,4-difluoro-3-[5-(1-pyrimidin-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
Names & synonyms
SCHEMBL2014109XQSNPWVOSGNWSV-UHFFFAOYSA-Npropane-1-sulfonic acid {2,4-difluoro-3-[5-(1-pyrimidin-2-yl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-phenyl}-amidepropane-1-sulfonic acid{2,4-difluoro-3-[5-(1-pyrimidin-2-yl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-phenyl}-amide
Database identifiers
- PubChem CID
- 53262160
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 903
Related reactions
1 records
Compound notes
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