≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated 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 | CC(C)N1CCCC1CNC(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)C5CCCC5 |
|---|---|
| IUPAC Name | 2-cyclopentyl-9-methyl-1-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrido[3,4-b]indole-4-carboxamide |
| InChIKey | OEYYOVRNPJSWTO-IBGZPJMESA-N |
| INCHI | 1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1 |
| Isomeric SMILES | CC(C)N1CCC[C@H]1CNC(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)C5CCCC5 |
| PubChem CID | 101891769 |
| MeSH Entry Terms | (S)-2-cyclopentyl-N-((1-isopropylpyrrolidin2-yl)-9-methyl-1-oxo-2,9-dihydro-1H-pyrrido(3,4-b)indole-4-carboxamide;VU0453379 |
| Molecular Weight | 434.6 |
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 | Indoles and derivatives |
| Subclass | Pyridoindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta carbolines |
| Alternative Parents | N-alkylindoles Indoles Pyridinecarboxylic acids and derivatives Pyridinones Benzenoids N-alkylpyrrolidines N-methylpyrroles Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Beta-carboline - N-alkylindole - Indole - Pyridine carboxylic acid or derivatives - Pyridinone - N-methylpyrrole - Pyridine - Substituted pyrrole - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrole - Pyrrolidine - Vinylogous amide - Amino acid or derivatives - Lactam - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety. |
| External Descriptors | Not available |
| Molecular Weight | 434.600 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 434.268 Da |
| Monoisotopic Mass | 434.268 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 759.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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-[[(2S)-1-Isopropylpyrrolidine-2-yl]methyl]-2-cyclopentyl-9-methyl-1-oxo-1,2-dihydro-9H-pyrido[3,4-b]indole-4-carboxamide - ≥98% CAS No(1638646-27-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1242664.jpg)