{2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-acetaldehyde
Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(C(CC2CCCC2)c2cc3cc(CC=O)cnc3[nH]2)cc1- InChIKey
SQFBTLITIUJTKZ-UHFFFAOYSA-N- Molecular formula
- C23H26N2O3S
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.16641387
Names & identifiers
- Preferred name
- {2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-acetaldehyde
- IUPAC
- 2-[2-[2-cyclopentyl-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetaldehyde
Names & synonyms
SCHEMBL1960511SQFBTLITIUJTKZ-UHFFFAOYSA-N{2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-acetaldehyde
Database identifiers
- PubChem CID
- 86654504
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 648
Related reactions
4 records
Compound notes
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