Compound Identification
SMILES
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)C1=NN3C(=C1)N=C(C=C3C(F)(F)F)C1=CC=CS1)=C2C#N
InChIKey
InChIKey=VEMOBZAPPNEBJZ-UHFFFAOYSA-N
Formula
C25H22F3N5OS2
Mass
529.6
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
Pyrimidinecarboxamides Pyrazole-5-carboxamides 2-heteroaryl carboxamides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[1,5-a]pyrimidine - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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