Compound Identification
SMILES
COC(=O)CCC1=NC2=C(C3=CC(=NN13)C1=CC=CC=C1)C(C)=NN(CC1=CC=CC=C1)C2=O
InChIKey
InChIKey=MUWBQLYNPGYQGE-UHFFFAOYSA-N
Formula
C26H23N5O3
Mass
453.502
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazines
Subclass
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-ones
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-ones
Alternative Parents
Phenylpyrazoles Pyrazolopyrimidines Pyridazinones Fatty acid esters Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-one - Phenylpyrazole - Pyrazolopyrimidine - Fatty acid ester - Pyridazinone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrimidine - Pyridazine - Heteroaromatic compound - Methyl ester - Azole - Pyrazole - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-ones. These are aromatic heterocyclic compounds containing a pyrimidine fused to both a pyrazole and a pyridazine rings. The resulting ring system carries an oxo group at the 4-position. Here, the pyrimidine ring shares one atom with the pyrazole ring, and no nitrogen atom with the pyrazole ring.
External Descriptors
Not available