6-((S)-1-(tert-butoxy)-2-ethoxy-2-oxoethyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid | 1423742-73-7

分子结构分类

有机化合物 - 有机杂环化合物 - 苯并吡喃

中文名称

——

中文别名

——

英文名称

6-((S)-1-(tert-butoxy)-2-ethoxy-2-oxoethyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

英文别名

6-[(1S)-2-ethoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-((S)-1-(tert-butoxy)-2-ethoxy-2-oxoethyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid化学式

CAS

1423742-73-7

化学式

C₂₆H₃₀FN₃O₆

mdl

——

分子量

499.539

InChiKey

LKXNTCNMNOCUPI-QHCPKHFHSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.59
重原子数：

36.0
可旋转键数：

6.0
环数：

4.0
sp3杂化的碳原子比例：

0.46
拓扑面积：

112.25
氢给体数：

1.0
氢受体数：

8.0

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	6-((S)-1-(tert-butoxy)-2-ethoxy-2-oxoethyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate	1423742-72-6	C₂₈H₃₄FN₃O₆	527.593
——	ethyl 7-chloro-6-(2-ethoxy-2-oxoethyl)-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate	1423742-66-8	C₁₄H₁₆ClN₃O₄	325.752

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(2S)-ethyl 2-(tert-butoxy)-2-(7-(8-fluoro-5-methylchroman-6-yl)-2-((4-fluorobenzyl)carbamoyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate	——	C₃₃H₃₆F₂N₄O₅	606.669
——	(2S)-ethyl 2-(tert-butoxy)-2-(2-((4-fluoro-3-methylbenzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate	1423742-87-3	C₃₄H₃₈F₂N₄O₅	620.696
——	(2S)-2-(tert-butoxy)-2-(7-(8-fluoro-5-methylchroman-6-yl)-5-methyl-2-(propylcarbamoyl)pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423742-33-9	C₂₇H₃₃FN₄O₅	512.581
——	(2S)-2-(tert-butoxy)-2-(7-(8-fluoro-5-methylchroman-6-yl)-2-(isopentylcarbamoyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-57-4	C₂₉H₃₇FN₄O₅	540.635
——	(2S)-2-(tert-butoxy)-2-(7-(8-fluoro-5-methylchroman-6-yl)-2-((4-fluorobenzyl)carbamoyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	——	C₃₁H₃₂F₂N₄O₅	578.616
——	(2S)-2-(tert-butoxy)-2-(2-((3,3-dimethylbutyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-70-1	C₃₀H₃₉FN₄O₅	554.662
——	(2S)-2-(tert-butoxy)-2-(2-((cyclohexylmethyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-22-3	C₃₁H₃₉FN₄O₅	566.673
——	(2S)-2-(tert-butoxy)-2-(7-(8-fluoro-5-methylchroman-6-yl)-5-methyl-2-((2-morpholinoethyl)carbamoyl)pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-96-1	C₃₀H₃₈FN₅O₆	583.66
——	(2S)-2-(tert-butoxy)-2-(2-((2-cyclohexylethyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423742-37-3	C₃₂H₄₁FN₄O₅	580.7
——	(2S)-2-(tert-butoxy)-2-(7-(8-fluoro-5-methylchroman-6-yl)-5-methyl-2-((2-(tetrahydro-2H-pyran-4-yl)ethyl)carbamoyl)pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423742-38-4	C₃₁H₃₉FN₄O₆	582.672
——	(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-3-methylbenzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-08-5	C₃₂H₃₄F₂N₄O₅	592.643
——	ethyl (2S)-2-(2-amino-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate	1454611-60-9	C₂₅H₃₁FN₄O₄	470.544
——	(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-3-methoxybenzyl)carbamoyl)-7-(8-fluoro-5-ethylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-43-8	C₃₂H₃₄F₂N₄O₆	608.642
——	(2S)-2-(tert-butoxy)-2-(7-(8-fluoro-5-methylchroman-6-yl)-5-methyl-2-(((tetrahydro-2H-pyran-4-yl)methyl)carbamoyl)pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423742-09-9	C₃₀H₃₇FN₄O₆	568.645
——	(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-2-hydroxybenzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,4-a]pyrimidin-6yl)acetic acid	1423741-71-2	C₃₁H₃₂F₂N₄O₆	594.615
——	(2S)-2-(tert-butoxy)-2-(2-((3-ethyl-4-fluorobenzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-30-3	C₃₃H₃₆F₂N₄O₅	606.669
——	(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-3-propylbenzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-31-4	C₃₄H₃₈F₂N₄O₅	620.696
——	(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-2-methoxybenzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-37-0	C₃₂H₃₄F₂N₄O₆	608.642
——	(2S)-2-(tert-butoxy)-2-(2-((3-cyclopropyl-4-fluorobenzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-32-5	C₃₄H₃₆F₂N₄O₅	618.68
——	(2S)-2-(tert-butoxy)-2-(7-(8-fluoro-5-methylchroman-6-yl)-2-(((1-isobutyrylpiperidin-4-yl)methyl)carbamoyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-07-4	C₃₄H₄₄FN₅O₆	637.752
——	(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-2-(methylcarbamoyl)benzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-38-1	C₃₃H₃₅F₂N₅O₆	635.668
——	(2S)-2-(2-amino-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetic acid	1454611-05-2	C₂₃H₂₇FN₄O₄	442.49
——	ethyl (2S)-2-tert-butoxy-2-(7-(8-fluoro-5-methylchroman-6-yl)-5-methyl-2-((2-(trimethylsilyl)ethoxy)carbonylamino)pyrazolo[1,5-a]pyrimidin-6-yl)acetate	1454611-59-6	C₃₁H₄₃FN₄O₆Si	614.79
——	(2S)-2-(2-(benzylamino)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetic acid	1454611-42-7	C₃₀H₃₃FN₄O₄	532.615
——	(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-2-(2-oxopyrrolidin-1-yl)benzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-18-7	C₃₅H₃₇F₂N₅O₆	661.705
——	(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-2-(methylsulfonyl)benzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-36-9	C₃₂H₃₄F₂N₄O₇S	656.707
——	(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-2-(1H-1,2,4-triazol-1-yl)benzyl)carbamoyl)-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid	1423741-17-6	C₃₃H₃₃F₂N₇O₅	645.666