2212021-59-3
中文名稱
(S)-3-氨基-2-(4-氟-3,5-二甲基苯基)-4-甲基-2,4,6,7-四氫-5H-吡唑并[4,3-C]吡啶-5-羧酸叔丁酯
英文名稱
5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl ester, (4S)-
CAS
2212021-59-3
分子式
C20H27FN4O2
分子量
374.45
MOL 文件
2212021-59-3.mol
更新日期
2025/07/29 08:39:25
2212021-59-3 結構式
基本信息
中文別名
(S)-3-氨基-2-(4-氟-3,5-二甲基苯基)-4-甲基-2,4,6,7-四氫-5H-吡唑并[4,3-C]吡啶-5-羧酸叔丁酯 英文別名
tert-butyl (4S)-3-amino-2-(4-fluoro-3,5-dimethyl-phenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylatetert-butyl (S)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl ester, (4S)-
物理化學性質(zhì)
沸點506.8±50.0 °C(Predicted)
密度1.25±0.1 g/cm3(Predicted)
酸度系數(shù)(pKa)4.13±0.40(Predicted)
InChIInChI=1S/C20H27FN4O2/c1-11-9-14(10-12(2)17(11)21)25-18(22)16-13(3)24(8-7-15(16)23-25)19(26)27-20(4,5)6/h9-10,13H,7-8,22H2,1-6H3/t13-/m0/s1
InChIKeyJPVNBRWFGNCDLO-ZDUSSCGKSA-N
SMILES[C@@H]1(C)N(C(OC(C)(C)C)=O)CCC2=NN(C3=CC(C)=C(F)C(C)=C3)C(N)=C12