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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:52 UTC
Update Date2025-03-25 00:52:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194043
Frequency0.5
Structure
Chemical FormulaC24H29F2N7O3
Molecular Mass501.23
SMILESCN1CCN(C2=C(N)C(F)=Cc3c(=O)c(C(=O)O)cn4c(N5CCN(C)CC5)c(F)c(N)c2c34)CC1
InChI KeyRLDYQPROOPAWHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids
  • aminopyridines and derivatives
  • aryl fluorides
  • azacyclic compounds
  • carboxylic acids
  • dialkylarylamines
  • enamines
  • fluoroalkenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-arylpiperazines
  • n-methylpiperazines
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridine-3-carboxylic acids
  • quinolizines
  • trialkylamines
  • vinyl fluorides
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid
  • amino acid or derivatives
  • pyridine-3-carboxylic acid
  • vinyl fluoride
  • organonitrogen compound
  • quinolizine
  • vinylogous amide
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • aryl halide
  • pyridine
  • pyridine carboxylic acid
  • haloalkene
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • amine
  • enamine
  • aryl fluoride
  • amino acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyridinylpiperazine
  • organopnictogen compound
  • fluoroalkene
  • 2-halopyridine
  • dialkylarylamine
  • aminopyridine
  • tertiary amine
  • organofluoride
  • hydroxypyridine
  • n-methylpiperazine
  • methylpyridine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • vinyl halide
  • organic nitrogen compound
  • n-arylpiperazine
  • organooxygen compound