Compound Identification
SMILES
CCCC1=C(NC2=CC(Cl)=C(F)C=C2)N2N=CC=C2N=C1NC1CCC(N)CC1
InChIKey
InChIKey=VOEASXDMGAGUCL-UHFFFAOYSA-N
Formula
C21H26ClFN6
Mass
416.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrazolopyrimidines
- Subclass Pyrazolo[1,5-a]pyrimidines
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Class
Pyrazolopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrazolopyrimidines
Subclass
Pyrazolo[1,5-a]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolo[1,5-a]pyrimidines
Alternative Parents
Aniline and substituted anilines Fluorobenzenes Cyclohexylamines Chlorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl fluorides Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organofluorides Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[1,5-a]pyrimidine - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Cyclohexylamine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organochloride - Organofluoride - Organonitrogen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
External Descriptors
Not available