4-[[1-[(3-氟苯基)甲基]-1H-吲唑-5-基]A氨基]-5-甲基-吡咯[2,1-F][1,2,4]三嗪-6-羧酸

CAS号
856667-80-6
CCD编号
CCD00947938
分子式
C22 H17 F N6 O2
分子量
416.414

基本信息

产品名称: 4-[[1-[(3-氟苯基)甲基]-1H-吲唑-5-基]A氨基]-5-甲基-吡咯[2,1-F][1,2,4]三嗪-6-羧酸
CAS: 856667-80-6
中文同义词: 4-[[1-[(3-氟苯基)甲基]-1H-吲唑-5-基]A氨基]-5-甲基-吡咯[2,1-F][1,2,4]三嗪-6-羧酸
英文同义词: 4-(1-(3-FLUOROBENZYL)-1H-INDAZOL-5-YLAMINO)-5-METHYLPYRROLO-[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLIC ACID ; 4-[[1-[(3-FLUOROPHENYL)METHYL]-1H-INDAZOL-5-YL]AMINO]-5-METHYL-PYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLIC ACID ; 4-(1-(3-FLUOROBENZYL)-1H-INDAZOL-5-YLAMINO)-5-METHYLPYRROLO [1,2-F][1,2,4]TRIAZINE-6-CARBOXYLIC ACID ; PYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLIC ACID, 4-[[1-[(3-FLUOROPHENYL)METHYL]-1H-INDAZOL-5-YL]AMINO]-5-METHYL-
MDL号: MFCD10565677
氢键受体数量: 8
氢键供体数量: 2
Smile: Cc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5cccc(c5)F)C(=O)O
InChi: InChI=1S/C22H17FN6O2/c1-13-18(22(30)31)11-29-20(13)21(24-12-26-29)27-17-5-6-19-15(8-17)9-25-28(19)10-14-3-2-4-16(23)7-14/h2-9,11-12H,10H2,1H3,(H,30,31)(H,24,26,27)
InChiKey: InChIKey=FQERVQREBAPWHR-UHFFFAOYSA-N

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