4-chloro-2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine
Basic information
- Standard SMILES
COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC- InChIKey
PPVPZYFHIRYPEX-UHFFFAOYSA-N- Molecular formula
- C25H22ClN3O4S
- Average molar mass
- 496 g/mol
- Monoisotopic mass
- 495.1019551
Names & identifiers
- Preferred name
- 4-chloro-2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 4-chloro-2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Names & synonyms
SCHEMBL1748718PPVPZYFHIRYPEX-UHFFFAOYSA-N4-chloro-2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- PubChem CID
- 67147477
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 817
Related reactions
6 records
Compound notes
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