≥95% 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 | C1CC2CN(CC1O2)C3=NC(=NC4=C3C=NN4C5CCC6(CC5)OCCO6)C7=CC=C(C=C7)N |
|---|---|
| IUPAC Name | 4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]aniline |
| InChIKey | IVPDYDHTKYINMP-UHFFFAOYSA-N |
| INCHI | 1S/C25H30N6O3/c26-17-3-1-16(2-4-17)22-28-23(30-14-19-5-6-20(15-30)34-19)21-13-27-31(24(21)29-22)18-7-9-25(10-8-18)32-11-12-33-25/h1-4,13,18-20H,5-12,14-15,26H2 |
| Isomeric SMILES | C1CC2CN(CC1O2)C3=NC(=NC4=C3C=NN4C5CCC6(CC5)OCCO6)C7=CC=C(C=C7)N |
| PubChem CID | 25262177 |
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 |
| Class | Pyrazolopyrimidines |
| Subclass | Pyrazolo[3,4-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[3,4-d]pyrimidines |
| Alternative Parents | Dialkylarylamines Aniline and substituted anilines Ketals Aminopyrimidines and derivatives Azepanes Primary aromatic amines Morpholines Imidolactams Pyrazoles Oxolanes 1,3-dioxolanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[3,4-d]pyrimidine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Azepane - Ketal - Oxazinane - Primary aromatic amine - Pyrimidine - Benzenoid - Imidolactam - Monocyclic benzene moiety - Morpholine - Meta-dioxolane - Azole - Pyrazole - Oxolane - Heteroaromatic compound - Acetal - Oxacycle - Dialkyl ether - Ether - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 462.500 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 462.238 Da |
| Monoisotopic Mass | 462.238 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 707.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)aniline - ≥95% , CAS No.1144068-84-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)