ARN-6039 , CAS No.1675206-11-7

CAS: 1675206-11-7 Cat. No.: A669839 Molecular Weight: 406.4 PubChem CID: 117940165

Storage

Room temperature

Specifications

Storage

Room temperature

Action Type

AGONIST

Product Properties

• ALogP: 3.2

Names and Identifiers

• Canonical Smiles: COC1=C(C=C2C(=C1)C(=O)C(CC3C(=CC=CN=3)C(F)(F)F)C2)N4CCOCC4
• IUPAC Name: 6-methoxy-5-morpholin-4-yl-2-[[3-(trifluoromethyl)pyridin-2-yl]methyl]-2,3-dihydroinden-1-one
• InChIKey: CQSDLVKTQRLMJB-UHFFFAOYSA-N
• INCHI: 1S/C21H21F3N2O3/c1-28-19-12-15-13(11-18(19)26-5-7-29-8-6-26)9-14(20(15)27)10-17-16(21(22,23)24)3-2-4-25-17/h2-4,11-12,14H,5-10H2,1H3
• Isomeric SMILES: COC1=C(C=C2CC(C(=O)C2=C1)CC3=C(C=CC=N3)C(F)(F)F)N4CCOCC4
• PubChem CID: 117940165
• Molecular Weight: 406.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Polyhalopyridines Dialkylarylamines Aryl alkyl ketones Anisoles Methylpyridines Alkyl aryl ethers 2-halopyridines Morpholines Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Enamines Dialkyl ethers Azacyclic compounds Aldimines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indanone - Polyhalopyridine - Dialkylarylamine - Aryl alkyl ketone - Aryl ketone - Tertiary aliphatic/aromatic amine - Anisole - 2-halopyridine - Methylpyridine - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Pyridine - Oxazinane - Morpholine - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Tertiary aliphatic amine - Tertiary amine - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Enamine - Dialkyl ether - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y