3-iodo-1-((6-methylpyridin-2-yl)methyl)-4-nitro-1H-indazole | 1313409-14-1
中文名称
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中文别名
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英文名称
3-iodo-1-((6-methylpyridin-2-yl)methyl)-4-nitro-1H-indazole
英文别名
3-iodo-1-[(6-methylpyridin-2-yl)methyl]-4-nitroindazole
CAS
1313409-14-1
化学式
C14H11IN4O2
mdl
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分子量
394.171
InChiKey
PWSHDKJRJTWMGD-UHFFFAOYSA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：525.2±50.0 °C(Predicted)
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密度：1.83±0.1 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：3
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重原子数：21
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可旋转键数：2
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环数：3.0
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sp3杂化的碳原子比例：0.14
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拓扑面积：76.5
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氢给体数：0
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氢受体数：4
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 3-碘-4-硝基-1H-吲唑 3-iodo-4-nitro-1H-indazole 885521-22-2 C7H4IN3O2 289.032 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 3-methyl-1-((6-methylpyridin-2-yl)methyl)-4-nitro-1H-indazole 1313409-01-6 C15H14N4O2 282.302 —— 1-((6-methylpyridin-2-yl)methyl)-4-nitro-3-vinyl-1H-indazole 1313409-16-3 C16H14N4O2 294.313 —— 1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-amine 1383475-14-6 C14H14N4 238.292 —— 3-methyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-amine 1313409-02-7 C15H16N4 252.319 —— 3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazole-4-amine 1313409-18-5 C16H18N4 266.346 —— 7-fluoro-N-(3-methyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide 1313409-00-5 C23H19FN6O 414.442 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide 1313407-33-8 C24H22N6O 410.478 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide 1313410-33-1 C24H21FN6O 428.469 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(hydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide 1313409-91-4 C25H24N6O2 440.505 —— N3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-N7-methylimidazo[1,2-a]pyridine-3,7-dicarboxamide 1313407-78-1 C26H25N7O2 467.53 —— 6-cyano-N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide 1313408-03-5 C25H21N7O 435.488 —— 3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridine-7-carboxylic acid 1313409-44-7 C25H22N6O3 454.488 —— ethyl 3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridine-7-carboxylate 1313407-53-2 C27H26N6O3 482.542 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(2-formylhydrazinecarbonyl)imidazo[1,2-a]pyridine-3-carboxamide 1313410-03-5 C26H24N8O3 496.528 —— N3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-N7,N7-dimethylimidazo[1,2-a]pyridine-3,7-dicarboxamide 1313407-79-2 C27H27N7O2 481.557 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-((3S,4S)-4-hydroxypyrrolidin-3-yloxy)imidazo[1,2-a]pyridine-3-carboxamide 1313407-62-3 C28H29N7O3 511.583 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide 1313407-74-7 C26H22N8OS 494.58 —— N7-(2-aminoethyl)-N3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide 1313407-77-0 C27H28N8O2 496.572 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-((3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yloxy)imidazo[1,2-a]pyridine-3-carboxamide 1313407-64-5 C29H31N7O3 525.61 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(piperazin-1-ylmethyl)imidazo [1,2-a]pyridine-3-carboxamide 1313407-60-1 C29H32N8O 508.626 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(piperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide 1313408-38-6 C28H30N8O 494.599 —— tert-butyl 2-(3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridine-7-carbonyl)hydrazinecarboxylate 1313409-90-3 C30H32N8O4 568.635 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-((4-methylpiperazin-1-yl)methyl)imidazo [1,2-a]pyridine-3-carboxamide 1313407-61-2 C30H34N8O 522.653 —— (3S,4S)-tert-butyl 3-(3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridin-7-yloxy)-4-hydroxypyrrolidine-1-carboxylate 1313409-93-6 C33H37N7O5 611.701 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide 1313407-75-8 C31H36N8O2 552.679 —— N3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-N7-(pyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide 1313407-76-9 C29H30N8O2 522.61 —— 4-(2-(3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridin-7-yloxy)ethyl)-1-methylpiperazine 1-oxide 1313407-67-8 C31H36N8O3 568.679 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-isopropylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide 1313408-04-6 C33H40N8O2 580.733 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-((2R,3S)-3-hydroxypyrrolidin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide 1313407-68-9 C29H31N7O3 525.61 —— 7-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide 1313410-43-3 C30H32N6O4 540.622 —— N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-((2R,3S)-3-hydroxy-1-methylpyrrolidin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide 1313407-72-5 C30H33N7O3 539.637 —— N3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-N7-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide 1313407-80-5 C30H32N8O2 536.636 —— tert-butyl 4-((3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[ 1,2-a]pyridin-7-yl)methyl)piperazine-1-carboxylate 1313409-92-5 C34H40N8O3 608.743 —— tert-butyl 4-(3-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-ylcarbamoyl)imidazo[1,2-a]pyridine-7-carbonyl)piperazine-1-carboxylate 1313409-46-9 C34H38N8O4 622.727 - 1
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反应信息
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作为反应物：描述：3-iodo-1-((6-methylpyridin-2-yl)methyl)-4-nitro-1H-indazole 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 20% palladium hydroxide-activated charcoal 2,4,6-三氯苯甲酰氯 、 水 、 氢气 、 三乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 乙醇 、 二氯甲烷 、 异