4-((叔丁氧基羰基)氨基)-1-(7H-吡咯并[2,3-D]嘧啶-4-基)哌啶-4-羧酸 | 956460-96-1

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

4-((叔丁氧基羰基)氨基)-1-(7H-吡咯并[2,3-D]嘧啶-4-基)哌啶-4-羧酸

中文别名

——

英文名称

4-((tert-butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

英文别名

4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

4-((叔丁氧基羰基)氨基)-1-(7H-吡咯并[2,3-D]嘧啶-4-基)哌啶-4-羧酸化学式

CAS

956460-96-1

化学式

C₁₇H₂₃N₅O₄

mdl

——

分子量

361.401

InChiKey

BXOSYQSFTOLZST-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.37±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

1.8
重原子数：

26
可旋转键数：

5
环数：

3.0
sp3杂化的碳原子比例：

0.53
拓扑面积：

120
氢给体数：

3
氢受体数：

7

安全信息

海关编码：

2933990090

SDS

SDS：bdbc5e7ffed1cd7c102fcfd6563972c3

查看

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
——	4-tert-butoxycarbonylamino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperidine-4-carboxylic acid ethyl ester	956460-97-2	C₁₉H₂₇N₅O₄	389.454

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	tert-butyl 4-(2-amino-4-bromophenylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1035389-68-4	C₂₃H₂₈BrN₇O₃	530.424
——	tert-butyl 4-(2-amino-5-bromophenylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1035389-70-8	C₂₃H₂₈BrN₇O₃	530.424
——	(S)-tert-butyl 4-(3-hydroxy-1-phenylpropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-90-3	C₂₆H₃₄N₆O₄	494.594
——	tert-butyl 4-(2-amino-3-bromophenylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1035390-11-4	C₂₃H₂₈BrN₇O₃	530.424
——	tert-butyl 4-(1-(4-chlorophenyl)-2-hydroxyethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143534-05-7	C₂₅H₃₁ClN₆O₄	515.012
——	(S)-tert-butyl 4-(1-(4-bromophenyl)-3-hydroxypropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-94-7	C₂₆H₃₃BrN₆O₄	573.49
——	tert-butyl 4-(((4-chlorophenyl)cyano)methylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143533-84-9	C₂₅H₂₈ClN₇O₃	509.995
——	tert-butyl 4-(1-(4-chlorophenyl)-4-hydroxybutylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143534-03-5	C₂₇H₃₅ClN₆O₄	543.066
——	(S)-tert-butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143534-12-6	C₂₆H₃₃ClN₆O₄	529.039
——	tert-butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143534-36-4	C₂₆H₃₃ClN₆O₄	529.039
——	tert-butyl 4-(1-(4-chlorophenyl)-3-(methylamino)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143534-92-2	C₂₇H₃₆ClN₇O₃	542.081
——	tert-butyl 4-(1-(4-chlorophenyl)-2-cyanoethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-80-1	C₂₆H₃₀ClN₇O₃	524.022
——	tert-butyl 4-(3-acetamido-1-(4-chlorophenyl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143534-23-9	C₂₈H₃₆ClN₇O₄	570.091
——	tert-butyl 4-(1-(4-chlorophenyl)-3-(dimethylamino)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143534-32-0	C₂₈H₃₈ClN₇O₃	556.108
——	(S)-tert-butyl 4-(1-(4-cyanophenyl)-3-hydroxypropylcarbamoyl)-l-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-88-9	C₂₇H₃₃N₇O₄	519.604
——	tert-butyl 4-(1-(4-chlorophenyl)-3-methoxypropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-55-0	C₂₇H₃₅ClN₆O₄	543.066
——	(S)-tert-butyl 4-(1-(4-chlorophenyl)-3-(diethylamino)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-98-1	C₃₀H₄₂ClN₇O₃	584.162
——	tert-butyl 4-(2-acetamido-1-(4-chlorophenyl)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-22-1	C₂₇H₃₄ClN₇O₄	556.064
——	tert-butyl 4-(1-(4-chlorophenyl)-4-(dimethylamino)butylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-96-9	C₂₉H₄₀ClN₇O₃	570.135
——	tert-butyl 4-(1-(4-chlorophenyl)-3-ureidopropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-76-5	C₂₇H₃₅ClN₈O₄	571.079
——	tert-butyl 4-(1-(4-chlorophenyl)-3-sulfamoylpropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-63-0	C₂₆H₃₄ClN₇O₅S	592.119
——	tert-butyl 4-(1-(4-chlorophenyl)-3-(methylsulfonamido)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-86-7	C₂₇H₃₆ClN₇O₅S	606.146
——	tert-butyl 4-(1-(4-chlorophenyl)-2-(methylsulfonamido)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-06-1	C₂₆H₃₄ClN₇O₅S	592.119
——	tert-butyl 4-(1-(4-chlorophenyl)-2-sulfamoylethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-16-3	C₂₅H₃₂ClN₇O₅S	578.092
——	4-amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide	——	C₁₉H₂₁ClN₆O	384.868
——	tert-butyl 4-(2-amino-3-(benzyloxy)phenylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1035390-25-0	C₃₀H₃₅N₇O₄	557.652
——	tert-butyl 4-(2-amino-6-(benzyloxy)phenylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1035390-27-2	C₃₀H₃₅N₇O₄	557.652
——	4-amino-N-(1-phenylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide	1143533-14-5	C₂₀H₂₄N₆O	364.45
——	tert-butyl 4-(1-(4-chlorophenyl)-2-(thiazol-2-yl)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate	1143535-45-8	C₂₈H₃₂ClN₇O₃S	582.126
——	4-amino-N-[1-(4-fluorophenyl)ethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide	1143533-10-1	C₂₀H₂₃FN₆O	382.441