Basic information
- Standard SMILES
COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(N)c(C(=O)N(C)C)c3)cc12- InChIKey
HEJRTPBFDFGJNC-UHFFFAOYSA-N- Molecular formula
- C30H27FN4O4S
- Average molar mass
- 558.6 g/mol
- Monoisotopic mass
- 558.17370469
Names & identifiers
- Preferred name
- 2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide
- IUPAC
- 2-amino-3-fluoro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
Names & synonyms
SCHEMBL3566926HEJRTPBFDFGJNC-UHFFFAOYSA-N2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide
Database identifiers
- PubChem CID
- 57731478
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 985
Related reactions
10 records
Compound notes
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