Compound Identification
SMILES
CCC1=C(C=C(S1)C(=O)N[C@H]1[C@H](N)CCCC1(F)F)C1=C2C=CN(CN2N=C1)OCC(F)F
InChIKey
InChIKey=DCOLATVUWMBXCR-KUHUBIRLSA-N
Formula
C21H25F4N5O2S
Mass
487.52
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
Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Cyclohexyl halides Cyclohexylamines Pyrimidines and pyrimidine derivatives Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives N-organohydroxylamines Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Alkyl fluorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyrimidine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Cyclohexylamine - Cyclohexyl halide - Pyrimidine - Heteroaromatic compound - Azole - Pyrazole - Thiophene - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - N-organohydroxylamine - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl fluoride - Primary amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Amine - 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