1-methyl-1H-imidazole-4-carboxylic Acid {2-dimethylcarbamoyl-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-amide
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Basic information
- Standard SMILES
COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(NC(=O)c4cn(C)cn4)c(C(=O)N(C)C)c3)cc12- InChIKey
UMLCKYUEBWSJTK-UHFFFAOYSA-N- Molecular formula
- C35H32N6O5S
- Average molar mass
- 648.7 g/mol
Names & identifiers
- Preferred name
- 1-methyl-1H-imidazole-4-carboxylic Acid {2-dimethylcarbamoyl-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-amide
- IUPAC
- N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-1-methylimidazole-4-carboxamide
Names & synonyms
SCHEMBL13342628UMLCKYUEBWSJTK-UHFFFAOYSA-N1-methyl-1H-imidazole-4-carboxylic Acid {2-dimethylcarbamoyl-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-amide
Database identifiers
- PubChem CID
- 57731553
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
4 records
Compound notes
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