example 7 [US8664233] - Moligand™ , CAS No.E610255

CAS: E610255 Cat. No.: E610255 PubChem CID: 24990553

GRADE & PURITY Moligand™

Synonyms

example 7 [US8664233]|1034194-07-4|G6EY3VW5NK|UNII-G6EY3VW5NK|4-ethoxy-2-(piperazin-1-yl)-7-(pyridin-4-yl)-5H-pyrimido[5,4-b]indole|CD-160130|4-Ethoxy-2-(1-piperazinyl)-7-(4-pyridinyl)-5H-pyrimido(5,4-b)indole|4-ethoxy-2-piperazin-1-yl-7-pyridin-4-yl-5H-p

Storage

Room temperature

Specifications

Synonyms

example 7 [US8664233] | 1034194-07-4 | G6EY3VW5NK | UNII-G6EY3VW5NK | 4-ethoxy-2-(piperazin-1-yl)-7-(pyridin-4-yl)-5H-pyrimido[5, 4-b]indole | CD-160130 | 4-Ethoxy-2-(1-piperazinyl)-7-(4-pyridinyl)-5H-pyrimido(5, 4-b)indole | 4-ethoxy-2-piperazin-1-yl-7-pyridin-4-yl-5H-p

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: CCOc1nc(nc2c1[nH]c1c2ccc(c1)c1ccncc1)N1CCNCC1
• IUPAC Name: 4-ethoxy-2-piperazin-1-yl-7-pyridin-4-yl-5H-pyrimido[5,4-b]indole
• InChIKey: HFGHRUCCKVYFKL-UHFFFAOYSA-N
• INCHI: 1S/C21H22N6O/c1-2-28-20-19-18(25-21(26-20)27-11-9-23-10-12-27)16-4-3-15(13-17(16)24-19)14-5-7-22-8-6-14/h3-8,13,23-24H,2,9-12H2,1H3
• Isomeric SMILES: CCOC1=NC(=NC2=C1NC3=C2C=CC(=C3)C4=CC=NC=C4)N5CCNCC5
• PubChem CID: 24990553

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: N-arylpiperazines Pyrrolopyrimidines Indoles Dialkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Benzenoids Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyridine - N-arylpiperazine - Indole - Indole or derivatives - Pyrrolopyrimidine - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - 1,4-diazinane - Piperazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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