CAS号:152121-53-4-PD-169316 - 4-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazole-科华智慧

1. 主信息

英文名:	4-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazole
中文名:	PD-169316
CAS编号:	152121-53-4
化学分子式：	C₂₀H₁₃FN₄O₂
化学分子量：	360.3 g/mol
SMILES：	C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole 4-(4-fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazole PD 169316 PD-169316 PD168316

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	5mg	97%	256	RT	现货	-
科华智慧	10mg	97%	416	RT	现货	-
科华智慧	50mg	97%	1280	RT	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 40 43 0 0 0 0 0 0 0999 V2000 5.7125 -3.5244 0.1439 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.2407 -1.2865 -0.5014 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.3248 0.6588 0.5216 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 1.1505 -0.0467 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2124 -1.0637 0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9603 3.8707 -0.1547 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6804 -0.2872 0.0088 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9763 0.8646 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 -0.5056 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 -0.0381 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 -1.2832 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 -0.1018 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9915 1.8873 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1252 -1.2009 -0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 0.9361 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 -1.6122 1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8305 -1.7116 -1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4841 2.3341 -1.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4827 2.4316 1.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 -1.2624 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6114 0.8746 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2619 -0.2246 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0025 -2.3695 1.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 -2.4689 -1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5874 -2.7979 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 3.3185 -1.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 3.4117 1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7665 2.0756 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5648 -2.0191 -1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7421 1.8003 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 -1.2862 2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -1.4639 -2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 1.9335 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 2.1087 2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -2.1339 -1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 1.7000 1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4592 -2.6257 2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4572 -2.8025 -2.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 3.7007 -2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8737 3.8677 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 28 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 26 2 0 0 0 0 6 27 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 14 29 1 0 0 0 0 15 21 2 0 0 0 0 15 30 1 0 0 0 0 16 23 1 0 0 0 0 16 31 1 0 0 0 0 17 24 2 0 0 0 0 17 32 1 0 0 0 0 18 26 1 0 0 0 0 18 33 1 0 0 0 0 19 27 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 2 2 -1 7 1

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4. 国际命名与标识

4.1 IUPAC Name

4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine

4.2 InChl

InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)

4.3 InChlKey

BGIYKDUASORTBB-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型