Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)[C@@H]1C[C@@H](N2NC=C(C([O-])=O)C2=N1)C(F)(F)F
InChIKey
InChIKey=OBGAOJDDNJFYOI-GXFFZTMASA-M
Formula
C17H17F3N3O5
Mass
400.335
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Imidolactams Hydropyrimidines Vinylogous amides Pyrazolines Pyrazoles Amidrazones Carboxylic acid salts Amidines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - 1,4,5,6-tetrahydropyrimidine - Monocyclic benzene moiety - Pyrimidine - Hydropyrimidine - Benzenoid - Imidolactam - Pyrazoline - Pyrazole - Vinylogous amide - Carboxylic acid amidrazone - Carboxylic acid salt - Amidine - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic anion - 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