536759-91-8 (4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并[3,4-C]吡啶-3-羧酸乙酯,Ethyl 1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo3,4-cpyridine-3-carboxylate)

CAS号:
536759-91-8
中文名称:
4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并[3,4-C]吡啶-3-羧酸乙酯
英文名称:
Ethyl 1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo3,4-cpyridine-3-carboxylate
分子式:
C22H20N4O6
分子量:
436.4174
API:

4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并[3,4-C]吡啶-3-羧酸乙酯(536759-91-8)名称与标识符

名称

中文别名:
4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并[3,4-C]吡啶-3-羧酸乙酯;4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并[3,4-C]吡啶-3-羧酸乙酯(阿哌沙班中间体);乙基 1H-吡唑并[3,4-C]吡啶-3 - 羧酸的酸,4,5,6,7 - 四氢-1 - (4 - 甲氧基苯基)-6 - (4 - 硝基苯基)-7 - 氧代乙基酯;阿哌沙班杂质 G;4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并[3,4-C]吡啶-3-羧酸;4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑;4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并(3,4-c)吡啶-3-羧酸乙酯;阿哌沙班中间体;
英文别名:
Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester;4,5,6,7-Tetrahydro-1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxyl;Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3;1H-Pyrazolo[3,4-c]pyridine-3-carboxylicacid,4,5,6,7-tetrahydro-1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-,ethylester;Apixaban iMpurityG;Apixaban impurity BMS-589154;4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl este;4-5-6-7-Tetrahydro-1--4-methoxyphenyl--6--4-nitrophenyl--7-oxo-1H-pyrazolo-3-4-c-pyridine-3-ca...;4-5-6-7-Tetrahydro-1--4-methoxyphenyl--6--4-nitrophenyl--7-oxo-1H-pyrazolo-3-4-c-pyridine-3-carboxylic-acid-ethyl-ester;ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate;Ethyl1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;RQNAOIQEGPVYTC-UHFFFAOYSA-N;CID 11711790;Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-ca;Ethyl1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-t;AKOS016003678;C22H20N4O6;DS-17571;4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester;536759-91-8;F20580;J-514039;CS-M0374;Apixaban Related Compound F [USP RS];ETHYL 1-(4-METHOXYPHENYL)-6-(4-NITROPHENYL)-7-OXO-4H,5H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXYLATE;1H-Pyrazolo(3,4-C)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-, ethyl ester;Apixaban Related Compound F [USP IMPURITY];AC-26842;SCHEMBL8243908;EC 611-033-0;MFCD18251627;1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-1-(4-METHOXYPHENYL)-6-(4-NITROPHENYL)-7-OXO-, ETHYL ESTER;DA-16945;BCP12343;NS00006680;Apixaban Related Compound F;Apixaban intermediate;Apixaban Impurity 24;DTXSID10470997;L8VJ5SY8JT;

标识符

MDL:
MFCD18251627
InChIKey:
RQNAOIQEGPVYTC-UHFFFAOYSA-N
Inchi:
1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3
SMILES:
O=C1C2=C(C(C(=O)OC([H])([H])C([H])([H])[H])=NN2C2C([H])=C([H])C(=C([H])C=2[H])OC([H])([H])[H])C([H])([H])C([H])([H])N1C1C([H])=C([H])C(=C([H])C=1[H])[N+](=O)[O-]

4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并[3,4-C]吡啶-3-羧酸乙酯(536759-91-8)物化性质

实验特性

  • LogP : 3.75690
  • PSA : 119.48000
  • 折射率 : 1.661
  • 沸点 : 658.8°C at 760 mmHg
  • 熔点 : No data available
  • 蒸气压 : 0.0±2.0 mmHg at 25°C
  • 闪点 : 352.2±31.5 °C
  • 颜色与性状 : No data avaiable
  • 密度 : 1.40

计算特性

  • 精确分子量 : 436.13800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 6
  • 同位素质量 : 436.13828437 g/mol
  • 重原子数量 : 32
  • 复杂度 : 699
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.6
  • 拓扑分子极性表面积 : 120
  • 分子量 : 436.4

4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并[3,4-C]吡啶-3-羧酸乙酯(536759-91-8)安全信息

4,5,6,7-四氢-1-(4-甲氧基苯基)-6-(4-硝基苯基)-7-氧代-1H-吡唑并[3,4-C]吡啶-3-羧酸乙酯(536759-91-8)推荐厂家 更多厂家(78)