Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=C(C=C1)[C@H]1C[C@H](N2NC=C(C(=O)NCC3=CC=CO3)C2=N1)C(F)(F)F

InChIKey

InChIKey=JJCSUMVIXDMFAN-MSOLQXFVSA-N

Formula

C21H21F3N4O2

Mass

418.42

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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

Pyrazolopyrimidine - Pyrimidinecarboxamide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Furan - Pyrazole - Pyrazoline - Heteroaromatic compound - Vinylogous amide - Carboxylic acid amidrazone - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Organic 1,3-dipolar compound - Amidine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - 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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