Compound Identification
SMILES
O[C@@H](C(O)=O)C1=CC=CC=C1.CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1
InChIKey
InChIKey=PQJIEQIINWGMLD-SUWLFBPYSA-N
Formula
C25H25ClN6O6
Mass
540.96
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 Alpha hydroxy acids and derivatives Aryl chlorides Benzene and substituted derivatives Imidolactams Pyrazines Pyridines and derivatives Heteroaromatic compounds Carbamate esters Tertiary carboxylic acid amides Lactams Trialkylamines Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Aromatic alcohols
Molecular Framework
Not available
Substituents
Cyclopyrrolone - Piperazine-1-carboxylic acid - 2-heteroaryl carboxamide - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Imidolactam - Benzenoid - Alpha-hydroxy acid - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Hydroxy acid - Piperazine - Pyridine - Pyrazine - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Lactam - Secondary alcohol - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic alcohol - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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