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

CAS: 1675206-11-7 Cat. No.: A669839 분자식: C₂₁H₂₁N₂O₃F₃ 분자량: 406.4 PubChem CID: 117940165

Storage

Room temperature

Specifications

보관 조건

Room temperature

작업 유형

AGONIST

제품 특성

ALogP

3.2

이름과 식별자

정식 스마일

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

이성체 SMILES

COC1=C(C=C2CC(C(=O)C2=C1)CC3=C(C=CC=N3)C(F)(F)F)N4CCOCC4

PubChem CID

117940165

분자량

406.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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