441328-10-5 ((1H-Pyrazole-5-carboxamide, N-[4-[(dimethylamino)iminomethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoromethyl)-)

结构式：

1H-Pyrazole-5-carboxamide, N-[4-[(dimethylamino)iminomethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoromethyl)-MOL文件

CAS号：

441328-10-5

英文名称：

1H-Pyrazole-5-carboxamide, N-[4-[(dimethylamino)iminomethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoromethyl)-

分子式：

C₂₄H₁₈N₅OF₅

分子量：

487.42462

简介：

FXa-IN-1 是一种 FXa 抑制剂 (IC50: 3 nM, Ki: 0.7 nM)，具有可观的口服生物利用度和半衰期 (in vivo)。FXa-IN-1 可用于血栓栓塞性疾病的研究。

1H-Pyrazole-5-carboxamide, N-[4-[(dimethylamino)iminomethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoromethyl)-(441328-10-5)名称与标识符

名称

英文别名：

1H-Pyrazole-5-carboxamide, N-[4-[(dimethylamino)iminomethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoromethyl)-;1H-Pyrazole-5-carboxaMide, N-[4-[(diMethylaMino)iMinoMethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoroMe...;N-{4-[(E)-(Dimethylhydrazono)methyl]-2-fluorophenyl}-1-(3-fluoro- 2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide;FXa-IN-1;

标识符

InChIKey：

BCJOZCDXPVWFLD-VVEOGCPPSA-N

Inchi：

InChI=1S/C24H18F5N5O/c1-33(2)30-13-14-7-8-19(17(25)9-14)31-23(35)21-12-22(24(27,28)29)32-34(21)20-11-16-6-4-3-5-15(16)10-18(20)26/h3-13H,1-2H3,(H,31,35)/b30-13+

SMILES：

CN(/N=C/C1=CC(F)=C(NC(C2=CC(C(F)(F)F)=NN2C3=C(F)C=C4C=CC=CC4=C3)=O)C=C1)C

1H-Pyrazole-5-carboxamide, N-[4-[(dimethylamino)iminomethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoromethyl)-(441328-10-5)物化性质

计算特性

氢键供体数量 : 1
氢键受体数量 : 6
可旋转化学键数量 : 7
重原子数量 : 35

82354-34-5(（1S，7aS）-六氢-1H-吡咯嗪-1-基甲基（2R，3S）-2,3-二羟基-2-（丙-2-基）丁酸酯) 82-70-2(1,4-Benzenedipropanoic acid, .α.,.α.'-diacetyl-.β.,.β.'-dioxo-, diethyl ester (en)) 82392-83-4(2,2-二乙氧基乙脒) 823-94-9(2,4,6-trimethyl-1,3,5-triazine-2,4,6-三甲基-1,3,5-三嗪) 827571-80-2(3-Chloro-4-methylaniline) 824-93-1(1,4-BIS(CHLOROMETHYL)CYCLOHEXANE) 824959-83-3(JWH 213) 82765-47-7((2R)-2-(Dodecanoyloxy)-3-(palmitoyloxy)propyl 2-(trimethylammonio )ethyl phosphate)

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441328-10-5 ((1H-Pyrazole-5-carboxamide, N-[4-[(dimethylamino)iminomethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoromethyl)-)

1H-Pyrazole-5-carboxamide, N-[4-[(dimethylamino)iminomethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoromethyl)-(441328-10-5)名称与标识符

名称

标识符

1H-Pyrazole-5-carboxamide, N-[4-[(dimethylamino)iminomethyl]-2-fluorophenyl]-1-(3-fluoro-2-naphthalenyl)-3-(trifluoromethyl)-(441328-10-5)物化性质

计算特性

目录