5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole

HCID 9866050

Basic information

Standard SMILES
COc1ccc2[nH]cc(CC3=CCCN(CCCC(=O)c4ccc(F)cc4)C3)c2c1
InChIKey
CIPFPNCFILKTBF-UHFFFAOYSA-N
Molecular formula
C25H27FN2O2
Average molar mass
406.5 g/mol
Monoisotopic mass
406.20565627

Names & identifiers

Preferred name
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
IUPAC
1-(4-fluorophenyl)-4-[5-[(5-methoxy-1H-indol-3-yl)methyl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

Names & synonyms

bimg80SCHEMBL9045326CIPFPNCFILKTBF-UHFFFAOYSA-NL0118645-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole

Database identifiers

PubChem CID
9866050

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
45.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
30

Related reactions

3 records

Compound notes

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