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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolopyrimidines
Alternative Parents
Pyrimidinecarboxamides Benzene and substituted derivatives Hydropyrimidines Imidolactams Vinylogous amides Furans Heteroaromatic compounds Pyrazolines Pyrazoles Secondary carboxylic acid amides Amidrazones Azacyclic compounds Amidines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides
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