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 | C1CC(CCC1C2=NC(=C3N2C=CN=C3N)C4=CC5=C(N4)C(=CC=C5)Cl)C(=O)O |
|---|---|
| IUPAC Name | 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid |
| InChIKey | UXCAKZGNKOZXBM-UHFFFAOYSA-N |
| INCHI | 1S/C21H20ClN5O2/c22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29/h1-3,8-12,25H,4-7H2,(H2,23,24)(H,28,29) |
| Isomeric SMILES | C1CC(CCC1C2=NC(=C3N2C=CN=C3N)C4=CC5=C(N4)C(=CC=C5)Cl)C(=O)O |
| PubChem CID | 45276387 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Imidazo[1,5-a]pyrazines Aminopyrazines Substituted pyrroles Aryl chlorides Benzenoids Imidolactams N-substituted imidazoles Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazo[1,5-a]pyrazine - Indole - Aminopyrazine - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Substituted pyrrole - Pyrazine - N-substituted imidazole - Heteroaromatic compound - Azole - Pyrrole - Imidazole - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| External Descriptors | Not available |
| Molecular Weight | 409.900 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 409.131 Da |
| Monoisotopic Mass | 409.131 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 616.000 |
| 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 |
![4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid - CAS No(936889-68-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/1/A1008877.jpg)