Compound Identification
SMILES
CCN1C(=O)C(C#N)=C(C)C(\C=C2\SC(=S)N(CCCC(O)=O)C2=O)=C1N1CCN(CC1)C1=CC=CC=C1F
InChIKey
InChIKey=DGLUGEUTVZDICE-PXLXIMEGSA-N
Formula
C27H28FN5O4S2
Mass
569.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
- Level 5 Pyridinylpiperazines
-
Subclass
Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpiperazines
Alternative Parents
Phenylpiperazines N-arylpiperazines 3-pyridinecarbonitriles Aniline and substituted anilines Dialkylarylamines Pyridinones Aminopyridines and derivatives Methylpyridines Fluorobenzenes Dihydropyridines Thiazolidinethiones Aryl fluorides Cyclic dithiocarbamic acid esters Heteroaromatic compounds Amino acids Lactams Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organofluorides Organic oxides Carbonyl compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - Pyridinylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 3-pyridinecarbonitrile - Methylpyridine - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - Aminopyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Pyridine - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Thiazolidine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary amine - Lactam - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Azacycle - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors
Not available