Compound Identification
SMILES
CN(C)CCN1CCC2=C(C(C)=C(N2)\C=C2/C(=O)NC3=C2C(NC2=CC(Cl)=C(F)C=C2)=NC=N3)C1=O
InChIKey
InChIKey=XQWGSEYGOOJGBO-PTNGSMBKSA-N
Formula
C25H25ClFN7O2
Mass
509.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Pyrrolopyridines Aniline and substituted anilines Chlorobenzenes Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Imidolactams Aryl chlorides Substituted pyrroles Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Lactams Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Pyrrolopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Fluorobenzene - Chlorobenzene - Pyrimidine - Aryl chloride - Aryl fluoride - Pyridine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Aryl halide - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. 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