5-[3-(2-Methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]nicotinic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)c1cncc(-c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)c1- InChIKey
IJOGNPPARIJTOF-UHFFFAOYSA-N- Molecular formula
- C29H25N3O5S
- Average molar mass
- 527.6 g/mol
Names & identifiers
- Preferred name
- 5-[3-(2-Methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]nicotinic acid ethyl ester
- IUPAC
- ethyl 5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylate
Names & synonyms
SCHEMBL1516618IJOGNPPARIJTOF-UHFFFAOYSA-N5-[3-(2-Methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo [2,3-b]pyridin-5-yl]-nicotinic acid ethyl ester5-[3-(2-Methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-nicotinic acid ethyl ester5-[3-(2-Methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]nicotinic acid ethyl ester
Database identifiers
- PubChem CID
- 59699900
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 902
Related reactions
12 records
Compound notes
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