(E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-YL)ethoxy)-1H-indazol-3-YL)vinyl)-1H-pyrazol-1-YL)ethanol , Fibroblast growth factor receptor inhibitor, CAS No.1254473-85-2, Fibroblast growth factor receptor inhibitor

CAS: 1254473-85-2 Cat. No.: E671240 Molecular Weight: 444.3

Synonyms

MFCD27992055 | SCHEMBL297690 | SCHEMBL297689 | FD5007 | (E)-2-(4-(2-(5-(1-(3,5-DICHLOROPYRIDIN-4-YL)ETHOXY)-1H-INDAZOL-3-YL)VINYL)-1H-PYRAZOL-1-YL)ETHANOL | NCGC00389549-01 | CHEMBL3545264

Storage

Room temperature

Specifications

Synonyms

MFCD27992055 | SCHEMBL297690 | SCHEMBL297689 | FD5007 | (E)-2-(4-(2-(5-(1-(3, 5-DICHLOROPYRIDIN-4-YL)ETHOXY)-1H-INDAZOL-3-YL)VINYL)-1H-PYRAZOL-1-YL)ETHANOL | NCGC00389549-01 | CHEMBL3545264

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Fibroblast growth factor receptor inhibitor

Product Properties

• ALogP: 3.5

Names and Identifiers

• Canonical Smiles: CC(C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3C=CC4=CN(N=C4)CCO
• IUPAC Name: 2-[4-[(E)-2-[5-[1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
• InChIKey: GKJCVYLDJWTWQU-DUXPYHPUSA-N
• INCHI: 1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+
• Isomeric SMILES: CC(C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3/C=C/C4=CN(N=C4)CCO
• Molecular Weight: 444.3
• Reaxy-Rn: 39228724
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39228724&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Polyhalopyridines Phenol ethers Alkyl aryl ethers Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Polyhalopyridine - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Ether - Alkanolamine - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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