for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)N5CCN(CC5)CC6=CC=C(C=C6)F)C#N |
|---|---|
| IUPAC Name | 16-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile |
| InChIKey | HPPFNLZAMLZQAO-UHFFFAOYSA-N |
| INCHI | 1S/C26H24FN5/c27-19-10-8-18(9-11-19)17-30-12-14-31(15-13-30)26-21-5-3-4-20(21)22(16-28)25-29-23-6-1-2-7-24(23)32(25)26/h1-2,6-11H,3-5,12-15,17H2 |
| Molecular Weight | 425.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Pyridinylpiperazines |
| Direct Parent | 5-piperazinylimidazo[1,2-a]pyridines |
| Alternative Parents | N-arylpiperazines Benzimidazoles Imidazo[1,2-a]pyridines Phenylmethylamines Benzylamines Dialkylarylamines Aminopyridines and derivatives Aralkylamines N-alkylpiperazines Fluorobenzenes Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Trialkylamines Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-piperazinylimidazo[1,2-a]pyridine - N-arylpiperazine - Benzimidazole - Imidazo[1,2-a]pyridine - Benzylamine - Phenylmethylamine - Dialkylarylamine - Aminopyridine - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl halide - Benzenoid - Pyridine - Aryl fluoride - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carbonitrile - Nitrile - Organofluoride - Amine - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 5-piperazinylimidazo[1,2-a]pyridines. These are aromatic heteropolycyclic compounds containing a piperidine ring that is N-linked to the 5-position of an imidazo[1,2-a]pyridine ring system. |
| External Descriptors | Not available |
| Molecular Weight | 425.500 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 425.202 Da |
| Monoisotopic Mass | 425.202 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 706.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![11-(4-(4-fluorobenzyl)piperazin-1-yl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile - CAS No(442567-35-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/F/9/F945513.jpg)