analytical standard, ≥95% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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 | COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)OC |
|---|---|
| IUPAC Name | methyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate |
| InChIKey | IHFSYYKSFUFOTJ-UHFFFAOYSA-N |
| INCHI | 1S/C26H26N4O5/c1-34-20-12-10-19(11-13-20)30-24-21(23(27-30)26(33)35-2)14-16-29(25(24)32)18-8-6-17(7-9-18)28-15-4-3-5-22(28)31/h6-13H,3-5,14-16H2,1-2H3 |
| Molecular Weight | 474.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Phenylpyrazoles Methoxyanilines 2-heteroaryl carboxamides Anisoles Methoxybenzenes Phenoxy compounds Pyrazole carboxylic acids and derivatives Delta lactams Alkyl aryl ethers Piperidinones Methyl esters Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Tertiary amines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperidine - Phenylpyrazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2-heteroaryl carboxamide - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Delta-lactam - Alkyl aryl ether - Piperidinone - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrazole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Ether - Azacycle - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 474.500 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 474.19 Da |
| Monoisotopic Mass | 474.19 Da |
| Topological Polar Surface Area | 94.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 793.000 |
| 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 |
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