Compound Identification
SMILES
O[C@@H]([C@H](O)C(O)=O)C(O)=O.CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1
InChIKey
InChIKey=PDWKZODYVWCZHK-WUUYCOTASA-N
Formula
C21H23ClN6O9
Mass
538.9
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 Beta hydroxy acids and derivatives Sugar acids and derivatives Short-chain hydroxy acids and derivatives N-methylpiperazines Alpha hydroxy acids and derivatives Aryl chlorides Dicarboxylic acids and derivatives Fatty acids and conjugates Imidolactams Monosaccharides Pyridines and derivatives Pyrazines Heteroaromatic compounds Tertiary carboxylic acid amides Carbamate esters Trialkylamines 1,2-diols Lactams Secondary alcohols Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Not available
Substituents
Cyclopyrrolone - Piperazine-1-carboxylic acid - 2-heteroaryl carboxamide - Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - N-methylpiperazine - N-alkylpiperazine - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - 1,4-diazinane - Alpha-hydroxy acid - Piperazine - Pyrazine - Pyridine - Aryl chloride - Aryl halide - Imidolactam - Fatty acid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carbamic acid ester - Secondary alcohol - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - 1,2-diol - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Alcohol - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organochloride - Organohalogen 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