Molecule ID: 24822371

IUPAC Name: 4-[(E)-2-[6-[2-[2-(2-(18F)fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline

Description: The molecule is an aromatic ether consisting of a pyridine ring substituted at position 2 by a 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy group and at position 5 and a 2-(4-methylaminophenyl)vinyl group. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease. It has a role as a radioactive imaging agent. It is an organofluorine compound, a member of pyridines, an aromatic ether, a (18)F radiopharmaceutical and a substituted aniline.

SMILES: CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1

SELFIES: [C][N][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][/C][=C][C][=C][Branch1][O][O][C][C][O][C][C][O][C][C][18F][N][=C][Ring1][S][C][=C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 3.5