Compound Identification
SMILES
CC1=NC2=C(C3=CC(=NN13)C1=CC=C(F)C=C1)C(C)=NN(CC1=CC=CC=C1)C2=O
InChIKey
InChIKey=JCKLXHSVVLASEB-UHFFFAOYSA-N
Formula
C23H18FN5O
Mass
399.429
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 Fluorobenzenes Pyrimidines and pyrimidine derivatives Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-one - Phenylpyrazole - Pyrazolopyrimidine - Fluorobenzene - Halobenzene - Pyridazinone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Pyridazine - Azole - Heteroaromatic compound - Pyrazole - Lactam - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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