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
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
Benzodioxoles Pyrimidinecarboxamides Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Imidolactams Hydropyrimidines Pyrazolines Pyrazoles Vinylogous amides Secondary carboxylic acid amides Amidrazones Amidines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Organopnictogen compounds
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