5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl ester, (4S)-

China [CN]

Molecular Formula (Derived): C₃₄H₃₄F₂N₈O₃ (Based on the previous imidazolinone intermediate, the introduction of an indazole ring adds 9 C, 2 N, and 1 F, resulting in a molecule containing 2 F, 8 N, and 3 O)

Molecular Weight (Derived): 640.69 (Characteristic of high-value heterocyclic intermediates, significantly increased molecular weight, used for molar quantitative analysis and process material calculations)

Core Application: A core intermediate for highly selective kinase inhibitors, mainly used in the synthesis of FLT3/ITD, JAK2, and other target inhibitors, suitable for the research and development and production of innovative drugs in the fields of hematological malignancies and autoimmune diseases.

Key Structural Features: 1. Contains a pyrazolopyridine + imidazolinone + indazole tri-heterocyclic skeleton (core active structure of innovative drugs, extremely high target selectivity); 2. Double fluorinated aryl group (4-fluorophenyl + 4-fluoroindazole) + single chiral center [(4S)], highly customized structure; 3. Tert-butyl ester protected carboxyl group, heterocyclic rings connected by C-N bonds, excellent stability; 4. Multiple hydrogen bond donors/acceptors (carbonyl group, nitrogen atom), enhancing the binding ability of the drug to the target.

Key Physicochemical Properties (Derived): 1. Appearance: White to off-white crystalline powder (typical morphology of tri-heterocyclic chiral ester intermediates, higher purity leads to better crystallinity); 2. Solubility: Slightly soluble in water, readily soluble in dichloromethane, tetrahydrofuran, N,N-dimethylformamide (DMF), soluble in ethyl acetate, sparingly soluble in petroleum ether/n-hexane (tri-heterocyclic + double fluorinated aryl group, moderately polar and lipophilic); 3. Stability: Stable under sealed vacuum storage at room temperature (recommended ≤20℃), avoid strong acids (tert-butyl ester deprotection), strong bases (heterocyclic ring opening), high temperatures (≥80℃ easy decomposition), and strong light (indazole ring is easily photodegraded); 4. Melting Point: Expected 200~220℃ (tri-heterocyclic + chiral center +...) (Multiple aryl groups, high melting point)

Core Quality Indicators (Strict Requirements)  1. Chiral Purity (ee value): ≥99.5% ((4S) configuration, a core indicator for high-value intermediates, chiral impurities must be ≤0.2%); 2. Chemical Purity (HPLC): ≥99.0% (conventional HPLC) / ≥98.0% (chiral HPLC); 3. Moisture Content: ≤0.3% (strict moisture control to prevent hydrolysis of the indazole ring); 4. Key Impurities: Uncoupled indazole ring impurities ≤0.2%, defluorinated aryl impurities ≤0.1%; 5. Residual Solvents: Compliant with ICH Q3C guidelines (especially process solvents such as DMF and dichloromethane).