tert-butyl N-[(3S,4R,7S)-3-fluoro-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-yl]carbamate | 1586044-62-3

分子结构分类

有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物

中文名称

——

中文别名

——

英文名称

tert-butyl N-[(3S,4R,7S)-3-fluoro-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-yl]carbamate

英文别名

tert-butyl ((3S,4R,7S)-3-fluoro-7-(1-methyl-4-nitro-1H-pyrazol-5-yl)oxepan-4-yl)carbamate；tert-butyl N-[(3S,4R,7S)-3-fluoro-7-(2-methyl-4-nitropyrazol-3-yl)oxepan-4-yl]carbamate

tert-butyl N-[(3S,4R,7S)-3-fluoro-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-yl]carbamate化学式

CAS

1586044-62-3

化学式

C₁₅H₂₃FN₄O₅

mdl

——

分子量

358.37

InChiKey

BMHSXWRRGGOCRL-FOGDFJRCSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1.5
重原子数：

25
可旋转键数：

4
环数：

2.0
sp3杂化的碳原子比例：

0.73
拓扑面积：

111
氢给体数：

1
氢受体数：

7

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
——	5-(5,8-dioxabicyclo[5.1.0]octan-4-yl)-1-methyl-4-nitro-pyrazole	1586042-97-8	C₁₀H₁₃N₃O₄	239.231
——	5-(1-allyloxypent-4-enyl)-1-methyl-4-nitro-pyrazole	1586042-62-7	C₁₂H₁₇N₃O₃	251.285
——	1-methyl-4-nitro-5-(2,3,4,7-tetrahydrooxepin-2-yl)pyrazole	1586042-64-9	C₁₀H₁₃N₃O₃	223.232

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	tert-butyl ((3S,4R,7S)-7-(4-(2-bromothiazole-4-carboxamido)-1-methyl-1H-pyrazol-5-yl)-3-fluorooxepan-4-yl)carbamate	1586045-04-6	C₁₉H₂₅BrFN₅O₄S	518.407
——	tert-butyl ((3S,4R,7S)-7-(4-(6-bromo-5-fluoropicolinamido)-1-methyl-1H-pyrazol-5-yl)-3-fluorooxepan-4-yl)carbamate	1586045-12-6	C₂₁H₂₆BrF₂N₅O₄	530.369
——	tert-butyl N-[2-bromo-4-[[5-[(2S,5R,6S)-5-(tert-butoxycarbonylamino)-6-fluoro-oxepan-2-yl]-1-methyl-pyrazol-4-yl]carbamoyl]thiazol-5-yl]carbamate	1586044-98-5	C₂₄H₃₄BrFN₆O₆S	633.539
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-phenylthiazole-4-carboxamide	1586041-57-7	C₂₀H₂₃FN₆O₂S	430.506
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-(difluoromethyl)phenyl)thiazole-4-carboxamide	1586041-36-2	C₂₁H₂₂F₃N₅O₂S	465.499
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluorophenyl)thiazole-4-carboxamide	1586041-59-9	C₂₀H₂₁F₂N₅O₂S	433.482
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)thiazole-4-carboxamide	1586041-53-3	C₂₁H₂₃F₂N₅O₂S	447.509
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide	1586041-58-8	C₂₀H₂₀F₃N₅O₂S	451.472
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(pyridin-2-yl)thiazole-4-carboxamide	1586041-63-5	C₁₉H₂₁FN₆O₂S	416.479
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,4-difluorophenyl)thiazole-4-carboxamide	1586041-62-4	C₂₀H₂₀F₃N₅O₂S	451.472
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,3-difluorophenyl)thiazole-4-carboxamide	1586041-43-1	C₂₀H₂₀F₃N₅O₂S	451.472
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-(trifluoromethyl)phenyl)thiazole-4-carboxamide	1586041-60-2	C₂₁H₂₂F₄N₆O₂S	498.504
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide	1586040-32-5	C₂₂H₂₁F₄N₅O₂	463.435
——	tert-Butyl N-[2-bromo-4-[[5-[(2S,5R,6S)-5-(tert-butoxycarbonylamino)-6-methoxy-oxepan-2-yl]-1-methyl-pyrazol-4-yl]carbamoyl]thiazol-5-yl]carbamate	1586045-00-2	C₂₅H₃₇BrN₆O₇S	645.575
——	tert-butyl N-[2-bromo-4-[[5-[(2S,5R,6R)-5-(tert-butoxycarbonylamino)-6-methoxy-oxepan-2-yl]-1-methyl-pyrazol-4-yl]carbamoyl]thiazol-5-yl]carbamate	1586045-02-4	C₂₅H₃₇BrN₆O₇S	645.575
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluorophenyl)thiazole-4-carboxamide	1586041-54-4	C₂₀H₂₂F₂N₆O₂S	448.496
——	5-Amino-N-[5-[(2R,5S,6R)-5-amino-6-fluoro-oxepan-2-yl]-1-methyl-pyrazol-4-yl]-2-(2,6-difluorophenyl)thiazole-4-carboxamide	1586040-13-2	C₂₀H₂₁F₃N₆O₂S	466.487
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluoro-5-methylphenyl)thiazole-4-carboxamide	1586041-30-6	C₂₁H₂₄F₂N₆O₂S	462.523
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide	1586040-38-1	C₂₃H₂₃F₄N₅O₃	493.461
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl)-5-fluoropicolinamide	1586040-37-0	C₂₅H₂₇F₄N₅O₃	521.515
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl)-5 fluoropicolinamide	1586040-31-4	C₂₅H₂₄F₅N₅O₃	537.489
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)thiazole-4-carboxamide	1586041-29-3	C₂₀H₂₁ClF₂N₆O₂S	482.942
——	5-Amino-N-[5-[(2S,5R,6R)-5-amino-6-fluoro-oxepan-2-yl]-1-methyl-pyrazol-4-yl]-2-(2,3-difluorophenyl)thiazole-4-carboxamide	1586040-18-7	C₂₀H₂₁F₃N₆O₂S	466.487
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,3-difluorophenyl)thiazole-4-carboxamide	1586041-61-3	C₂₀H₂₁F₃N₆O₂S	466.487
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(methoxymethyl)phenyl)-5-fluoropicolinamide	1586040-36-9	C₂₄H₂₅F₄N₅O₃	507.488
——	N-(5-((2S,5R,6S)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-hydroxyethoxy)phenyl)-5-fluoropicolinamide	1586040-46-1	C₂₄H₂₅F₄N₅O₄	523.487
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide	1586040-29-0	C₂₅H₂₇F₄N₅O₄	537.514
——	N-(5-((2S,5R,6S)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)-5-fluoropicolinamide	1586040-34-7	C₂₇H₂₉F₄N₅O₄	563.552
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluoro-4-(tetrahydrofuran-3-yl)phenyl)thiazole-4-carboxamide	1586040-53-0	C₂₄H₂₆F₃N₅O₃S	521.563
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl)-5-fluoropicolinamide	1586040-30-3	C₂₅H₂₅F₄N₅O₄	535.498
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(3-methoxyoxetan-3-yl)phenyl)-5-fluoropicolinamide	1586040-39-2	C₂₆H₂₇F₄N₅O₄	549.525
——