Compound Identification
SMILES
COC1=CC=C(CN2C(NC3=CC(C)=C(Br)C=C3)C3=C(C=CC=N3)C2=O)C=C1
InChIKey
InChIKey=BHONVZTYVQIXDR-UHFFFAOYSA-N
Formula
C22H20BrN3O2
Mass
438.325
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyridines
Alternative Parents
Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Bromobenzenes Pyridines and derivatives Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Anisole - Phenoxy compound - Halobenzene - Bromobenzene - Toluene - Alkyl aryl ether - Pyridine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Ether - Carboxylic acid derivative - Azacycle - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors
Not available