Basic information
- Standard SMILES
COc1cc2c(-c3cc4c(CNc5ccc(N6CCCCC6)cc5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC- InChIKey
FYGLSIATORZKRZ-UHFFFAOYSA-N- Molecular formula
- C37H39N5O4S
- Average molar mass
- 649.8 g/mol
Names & identifiers
- Preferred name
- [2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl](4-piperid-1-ylphenyl)amine
- IUPAC
- N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]-4-piperidin-1-ylaniline
Names & synonyms
SCHEMBL1749204FYGLSIATORZKRZ-UHFFFAOYSA-N[2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl](4-piperid-1-ylphenyl)amine
Database identifiers
- PubChem CID
- 67147698
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
4 records
Compound notes
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