≥98% 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.
| Canonical Smiles | CC1=C(C=C(S1)C(=O)NC2C(CCCC2(F)F)N)C3=C4N=CC(=CN4N=C3)C5=CN(N=C5)C |
|---|---|
| IUPAC Name | N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide |
| InChIKey | SFILVHFYISPBOI-IEBWSBKVSA-N |
| INCHI | 1S/C22H23F2N7OS/c1-12-15(6-18(33-12)21(32)29-19-17(25)4-3-5-22(19,23)24)16-9-28-31-11-13(7-26-20(16)31)14-8-27-30(2)10-14/h6-11,17,19H,3-5,25H2,1-2H3,(H,29,32)/t17-,19-/m1/s1 |
| Isomeric SMILES | CC1=C(C=C(S1)C(=O)N[C@@H]2[C@@H](CCCC2(F)F)N)C3=C4N=CC(=CN4N=C3)C5=CN(N=C5)C |
| PubChem CID | 25141108 |
| Molecular Weight | 471.54 |
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[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Cyclohexyl halides Cyclohexylamines Pyrimidines and pyrimidine derivatives Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Alkyl fluorides Organofluorides Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a]pyrimidine - 2-heteroaryl carboxamide - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Cyclohexyl halide - Cyclohexylamine - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Thiophene - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 471.500 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 471.165 Da |
| Monoisotopic Mass | 471.165 Da |
| Topological Polar Surface Area | 131.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 733.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![N-((1R,6R)-6-Amino-2,2-difluorocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide - ≥98% CAS No(1109283-93-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1316866.jpg)