AZD-1656 Racemate , CAS No.2265194-11-2

CAS: 2265194-11-2 Cat. No.: A669773 Molecular Weight: 478.5 PubChem CID: 73224028

Storage

Room temperature

Specifications

Storage

Room temperature

Product Properties

• ALogP: 1.3

Names and Identifiers

• Canonical Smiles: COCC(C)OC1C=C(C=C(OC2=NC=C(N=C2)C(=O)N3CCC3)C=1)C(=O)NC4=NC=C(C)N=C4
• IUPAC Name: 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)benzamide
• InChIKey: FJEJHJINOKKDCW-UHFFFAOYSA-N
• INCHI: 1S/C24H26N6O5/c1-15-10-27-21(12-25-15)29-23(31)17-7-18(34-16(2)14-33-3)9-19(8-17)35-22-13-26-20(11-28-22)24(32)30-5-4-6-30/h7-13,16H,4-6,14H2,1-3H3,(H,27,29,31)
• Isomeric SMILES: CC1=CN=C(C=N1)NC(=O)C2=CC(=CC(=C2)OC(C)COC)OC3=NC=C(N=C3)C(=O)N4CCC4
• PubChem CID: 73224028
• Molecular Weight: 478.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Benzamides Pyrazinecarboxamides 2-heteroaryl carboxamides Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Benzamide - Benzoic acid or derivatives - Pyrazinecarboxamide - Pyrazine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Dialkyl ether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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