Compound Identification
SMILES
CCN(CC)CC(O)CNC(=O)C1=CC(C)=C(N1)\C=C1/C(=O)NC2=C1C(NC1=CC(Cl)=C(F)C=C1)=NC=N2
InChIKey
InChIKey=CBPCSPAXUJCCML-YVLHZVERSA-N
Formula
C26H29ClFN7O3
Mass
542.01
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
2-heteroaryl carboxamides Aniline and substituted anilines Pyrrole carboxamides Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Substituted pyrroles Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds 1,2-aminoalcohols Lactams Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aniline or substituted anilines - Chlorobenzene - Fluorobenzene - Aminopyrimidine - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyrimidine - Imidolactam - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Lactam - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - 1,2-aminoalcohol - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - 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