Compound Identification
SMILES
Cc1cc(CNC(=O)c2cc(nc3nc(=O)[nH]n23)C(=O)N[C@H]2CCc3cc(ccc23)-c2nn[nH]n2)ccc1F
InChIKey
InChIKey=YBTDUBBPXWUWBU-SFHVURJKSA-N
Formula
C25H21FN10O3
Mass
528.508
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Pyrimidinecarboxylic acids and derivatives Indanes 2-heteroaryl carboxamides Toluenes Fluorobenzenes Aryl fluorides Triazoles Tetrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indane - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - 2-heteroaryl carboxamide - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Tetrazole - Azole - 1,2,4-triazole - Triazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available