Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Kanonisches Lächeln | COCCOC1=NC(=NC2=C1CN(CC2)C(=O)C3=C4C=CC=CN4C=N3)C5=CN=C(C=C5)Cl |
|---|---|
| IUPAC Name | [2-(6-chloropyridin-3-yl)-4-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-imidazo[1,5-a]pyridin-1-ylmethanone |
| InChIKey | JBHLOPKIPKTRSU-UHFFFAOYSA-N |
| INCHI | 1S/C23H21ClN6O3/c1-32-10-11-33-22-16-13-29(23(31)20-18-4-2-3-8-30(18)14-26-20)9-7-17(16)27-21(28-22)15-5-6-19(24)25-12-15/h2-6,8,12,14H,7,9-11,13H2,1H3 |
| Isomere SMILES | COCCOC1=NC(=NC2=C1CN(CC2)C(=O)C3=C4C=CC=CN4C=N3)C5=CN=C(C=C5)Cl |
| Molekulargewicht | 464.90 |
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 |
| Klasse | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpyrimidines |
| Alternative Parents | Pyridopyrimidines Imidazopyridines 2-heteroaryl carboxamides 2-halopyridines Alkyl aryl ethers Carbonylimidazoles N-substituted imidazoles Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridinylpyrimidine - Pyridopyrimidine - Imidazopyridine - 2-heteroaryl carboxamide - Alkyl aryl ether - 2-halopyridine - Imidazole-4-carbonyl group - Aryl chloride - Aryl halide - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Imidazole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond. |
| External Descriptors | Not available |
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| Molekulargewicht | 464.900 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 464.136 Da |
| Monoisotopic Mass | 464.136 Da |
| Topological Polar Surface Area | 94.700 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 674.000 |
| 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 |
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