≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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.
| Sonrisas canónicas | CN1C2=C(N=C(N=C2N(C1=O)C)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N |
|---|---|
| IUPAC Name | 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-7,9-dimethylpurin-8-one |
| InChIKey | YVNXUGWVLDZUEP-UHFFFAOYSA-N |
| INCHI | 1S/C20H17FN8O/c1-27-15-16(22)24-17(25-19(15)28(2)20(27)30)14-12-7-5-9-23-18(12)29(26-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H2,22,24,25) |
| Isómeros SMILES | CN1C2=C(N=C(N=C2N(C1=O)C)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N |
| PubChem CID | 66613923 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purinones |
| Alternative Parents | 6-aminopurines Pyrazolopyridines Aminopyrimidines and derivatives Fluorobenzenes Pyridines and derivatives Aryl fluorides Imidolactams N-substituted imidazoles Heteroaromatic compounds Pyrazoles Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-aminopurine - Purinone - Pyrazolopyridine - Aminopyrimidine - Halobenzene - Fluorobenzene - N-substituted imidazole - Aryl fluoride - Aryl halide - Pyridine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Pyrazole - Azole - Imidazole - Urea - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
| Peso molecular | 404.400 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 404.151 Da |
| Monoisotopic Mass | 404.151 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 654.000 |
| 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 |
![6-Amino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one - ≥99% CAS No(1361569-23-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/9/A932089.jpg)