Compound Identification
SMILES
OC(=O)CCC(O)=O.CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1
InChIKey
InChIKey=QZEXHICKFOHWQI-NTISSMGPSA-N
Formula
C21H23ClN6O7
Mass
506.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolopyrazines
- Subclass Cyclopyrrolones
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Class
Pyrrolopyrazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrazines
Subclass
Cyclopyrrolones
Intermediate Tree Nodes
Not available
Direct Parent
Cyclopyrrolones
Alternative Parents
Piperazine carboxylic acids 2-heteroaryl carboxamides N-methylpiperazines Aryl chlorides Dicarboxylic acids and derivatives Fatty acids and conjugates Imidolactams Pyridines and derivatives Pyrazines Carbamate esters Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Lactams Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Not available
Substituents
Cyclopyrrolone - Piperazine-1-carboxylic acid - 2-heteroaryl carboxamide - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Pyrazine - Pyridine - Imidolactam - Fatty acid - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Lactam - Azacycle - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclopyrrolones. These are compounds belonging to a family of pyridin-2-ylpyrrole based chemicals. The pyrrole is usually fused to a benzene, pyrimidine, or dithiin.
External Descriptors
Not available