Compound Identification
SMILES
COC(=O)COC1=NC(C)=C(CC2=CC=C(F)C=C2)N2C=C(C)C(C(=O)C(N)=O)=C12
InChIKey
InChIKey=CDKFJAVLDFDZKH-UHFFFAOYSA-N
Formula
C21H20FN3O5
Mass
413.405
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrazines
Alternative Parents
Aryl ketones Alkyl aryl ethers Fluorobenzenes Substituted pyrroles Pyrazines Aryl fluorides Vinylogous amides Heteroaromatic compounds Methyl esters Primary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrazine - Aryl ketone - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyrazine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Pyrrole - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Ketone - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrazines. These are compounds containing a pyrrolopyrazine moiety, which consists of a pyrrole ring fused to a pyrazine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
External Descriptors
Not available