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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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T691616-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$546.90
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T691616-25mg
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25mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,521.90
|
|
| Specifications & Purity | ≥98% |
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Taxonomy Tree
| Kingdom | Organic compounds |
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| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyrazolylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolylpyridines |
| Alternative Parents | Pyrrolopyridines Aminopyridines and derivatives Cyclohexylamines Aryl fluorides Imidolactams Pyrroles Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-pyrazolylpyridine - Pyrrolopyridine - Aminopyridine - Cyclohexylamine - Aryl fluoride - Aryl halide - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Pyrrole - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond. |
| External Descriptors | Not available |
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| IUPAC Name | 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one |
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| INCHI | InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1 |
| InChIKey | MJHOMTRKVMKCNE-NWDGAFQWSA-N |
| Smiles | CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)NC4CCCCC4N |
| Isomeric SMILES | CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)N[C@@H]4CCCC[C@@H]4N |
| Alternate CAS | 1312691-33-0 |
| PubChem CID | 53252276 |
| MeSH Entry Terms | TAK-659 |
| Molecular Weight | 344.400 g/mol |
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| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 344.176 Da |
| Monoisotopic Mass | 344.176 Da |
| Topological Polar Surface Area | 97.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 508.000 |
| 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 |