Basic information
- Standard SMILES
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C(=O)NCC)nc4)cc23)c1F- InChIKey
AACPHNFEDMXRPQ-UHFFFAOYSA-N- Molecular formula
- C25H23F2N5O4S
- Average molar mass
- 527.5 g/mol
- Monoisotopic mass
- 527.14388173
Names & identifiers
- Preferred name
- 5-{3-[2,6-difluoro-3-(propane-1-sulfonylamino)-benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-pyridine-2-carboxylic acid ethylamide
- IUPAC
- 5-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-ethylpyridine-2-carboxamide
Names & synonyms
SCHEMBL299211CHEMBL3928507AACPHNFEDMXRPQ-UHFFFAOYSA-N5-{3-[2,6-difluoro-3-(propane-1-sulfonylamino)-benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-pyridine-2-carboxylic acid ethylamide
Database identifiers
- PubChem CID
- 49779382
- ChEMBL
CHEMBL3928507
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 919
Related reactions
2 records
Compound notes
Loading…