Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)[C@H]1C[C@@H](N2NC=C(C(=O)NC3=CC4=C(OCO4)C=C3)C2=N1)C(F)(F)F

InChIKey

InChIKey=SADJUESWBQIIKV-VQIMIIECSA-N

Formula

C22H19F3N4O4

Mass

460.413

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrazolopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrazolopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodioxole - Pyrazolopyrimidine - Pyrimidinecarboxamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Pyrimidine - Benzenoid - Pyrazole - Pyrazoline - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Acetal - Azacycle - Organic 1,3-dipolar compound - Amidine - Oxacycle - Carboxylic acid derivative - Ether - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.

External Descriptors

Not available

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