(3aR,5R,6aR)-benzyl 5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | 1537880-05-9

分子结构分类

有机化合物 - 有机杂环化合物 - 二氮杂萘

中文名称

——

中文别名

——

英文名称

(3aR,5R,6aR)-benzyl 5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

英文别名

benzyl (3aR,5R,6aR)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate

(3aR,5R,6aR)-benzyl 5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate化学式

CAS

1537880-05-9

化学式

C₃₀H₃₅F₃N₄O₅

mdl

——

分子量

588.627

InChiKey

BNBBGPVAKNMVPZ-CTWZREHQSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

3.6
重原子数：

42
可旋转键数：

7
环数：

5.0
sp3杂化的碳原子比例：

0.53
拓扑面积：

101
氢给体数：

1
氢受体数：

9

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
——	(3aR,5R,6aR)-2-benzyl 3a-methyl 5-((tert-butoxycarbonyl)amino)hexahydrocyclopenta[c]pyrrole-2,3a(1H)-dicarboxylate	1537880-01-5	C₂₂H₃₀N₂O₆	418.49
——	(3aR,5R,6aR)-2-((benzyloxy)carbonyl)-5-((tert-butoxycarbonyl)amino)octahydrocyclopenta[c]pyrrole-3a-carboxylic acid	1537880-03-7	C₂₁H₂₈N₂O₆	404.463
——	(3aR,5R,6aR)-methyl 2-benzyl-5-(tert-butoxycarbonylamino)octahydrocyclopenta[c]pyrrole-3a-carboxylate	1443232-24-3	C₂₁H₃₀N₂O₄	374.48

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(3aR,5R,6aR)-methyl 5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate	1537881-44-9	C₂₄H₃₁F₃N₄O₅	512.529
——	2-methoxyethyl (3aR,5R,6aR)-5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate	1600506-08-8	C₂₆H₃₅F₃N₄O₆	556.582
——	neopentyl (3aR,5R,6aR)-5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate	1557349-49-1	C₂₈H₃₉F₃N₄O₅	568.637
——	(tetrahydro-2H-pyran-4-yl)methyl (3aR,5R,6aR)-5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate	1600506-09-9	C₂₉H₃₉F₃N₄O₆	596.647
——	tert-butyl ((3aR,5R,6aR)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537879-91-6	C₂₂H₂₉F₃N₄O₃	454.492
——	2-((3aR,5R,6aR)-5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)acetic acid	1537882-57-7	C₂₄H₃₁F₃N₄O₅	512.529
——	methyl 2-((3aR,5R,6aR)-5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)acetate	1537882-62-4	C₂₅H₃₃F₃N₄O₅	526.556
——	tert-butyl ((3aR,5R,6aR)-2-cyano-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537880-42-4	C₂₃H₂₈F₃N₅O₃	479.502
——	tert-butyl ((3aR,5R,6aR)-2-isopropyl-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537882-46-4	C₂₅H₃₅F₃N₄O₃	496.573
——	tert-butyl ((3aR,5R,6aR)-2-propioloyl-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537882-06-6	C₂₅H₂₉F₃N₄O₄	506.525
——	(3aR,5R,6aR)-2-Morpholinoethyl 5-amino-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate	1537881-55-2	C₂₄H₃₂F₃N₅O₄	511.544
——	phenyl (3aR,5R,6aR)-5-((tert-butoxycarbonyl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate	1557349-46-8	C₂₉H₃₃F₃N₄O₅	574.6
——	tert-butyl ((3aR,5R,6aR)-2-cyclopropyl-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537882-41-9	C₂₅H₃₃F₃N₄O₃	494.557
——	tert-butyl ((3aR,5R,6aR)-2-(2-(dimethylamino)-2-oxoethyl)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537882-58-8	C₂₆H₃₆F₃N₅O₄	539.598
——	tert-butyl ((3aR,5R,6aR)-2-(methylcarbamoyl)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537880-82-2	C₂₄H₃₂F₃N₅O₄	511.544
——	tert-butyl ((3aR,5R,6aR)-2-(dimethylcarbamoyl)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537881-04-1	C₂₅H₃₄F₃N₅O₄	525.571
——	tert-butyl ((3aR,5R,6aR)-2-(neopentylcarbamoyl)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537880-96-8	C₂₈H₄₀F₃N₅O₄	567.652
——	tert-butyl ((3aR,5R,6aR)-2-carbamothioyl-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537881-17-6	C₂₃H₃₀F₃N₅O₃S	513.584
——	tert-butyl ((3aR,5R,6aR)-2-cinnamoyl-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537881-87-0	C₃₁H₃₅F₃N₄O₄	584.639
——	tert-butyl ((3aR,5R,6aR)-2-((E)-N'-hydroxycarbamimidoyl)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1539260-72-4	C₂₃H₃₁F₃N₆O₄	512.532
——	tert-butyl ((3aR,5R,6aR)-2-(benzylcarbamothioyl)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)carbamate	1537881-21-2	C₃₀H₃₆F₃N₅O₃S	603.709
——	(3aR,5R,6aR)-2-(tetrahydro-2H-pyran-4-yl)ethyl 5-(((3S,4S)-3-methoxytetrahydropyran-4-yl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate	1537881-64-3	C₃₁H₄₃F₃N₄O₆	624.701
——	(3aR,5R,6aR)-2-(tetrahydro-2H-pyran-4-yl)ethyl 5-(((3R,4R)-3-methoxytetrahydropyran-4-yl)amino)-3a-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate