ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid

C56H68F8N8O8Si2 — CID 158308671

IUPACethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCCOC(=O)C1(COc2cc(C)c(-c3cnc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)c(F)c3)cn2)CCC1.Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)c(F)c1
InChIInChI=1S/C29H36F4N4O4Si.C27H32F4N4O4Si/c1-6-40-27(38)28(8-7-9-28)17-41-24-12-19(2)21(15-34-24)20-13-22(30)25(35-14-20)26-36-23(29(31,32)33)16-37(26)18-39-10-11-42(3,4)5;1-17-10-22(39-15-26(25(36)37)6-5-7-26)32-13-19(17)18-11-20(28)23(33-12-18)24-34-21(27(29,30)31)14-35(24)16-38-8-9-40(2,3)4/h12-16H,6-11,17-18H2,1-5H3;10-14H,5-9,15-16H2,1-4H3,(H,36,37)
InChIKeyGNKHOOPNGCUKFE-UHFFFAOYSA-N
MW1189.36 g/mol
LogP13.32
Rot. Bonds23

About ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid

ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (PubChem CID 158308671) has the molecular formula C56H68F8N8O8Si2 and a molecular weight of 1189.36 g/mol. Its IUPAC name is ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nameethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
PubChem CID158308671
Molecular FormulaC56H68F8N8O8Si2
Molecular Weight1189.36 g/mol
Exact Mass1188.46
IUPAC Nameethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCCOC(=O)C1(COc2cc(C)c(-c3cnc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)c(F)c3)cn2)CCC1.Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)c(F)c1
InChIInChI=1S/C29H36F4N4O4Si.C27H32F4N4O4Si/c1-6-40-27(38)28(8-7-9-28)17-41-24-12-19(2)21(15-34-24)20-13-22(30)25(35-14-20)26-36-23(29(31,32)33)16-37(26)18-39-10-11-42(3,4)5;1-17-10-22(39-15-26(25(36)37)6-5-7-26)32-13-19(17)18-11-20(28)23(33-12-18)24-34-21(27(29,30)31)14-35(24)16-38-8-9-40(2,3)4/h12-16H,6-11,17-18H2,1-5H3;10-14H,5-9,15-16H2,1-4H3,(H,36,37)
InChIKeyGNKHOOPNGCUKFE-UHFFFAOYSA-N
XLogP13.32
TPSA187.72 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.36
LogP ≤ 513.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[5-[5-fluoro-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-3-yl]-4-methylpyridin-2-yl]oxymethyl]cyclobutane-1-carboxylic acid
CID 68053982
2,2-dimethyl-3-({4-methyl-6'-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]-3,3'-bipyridin-6-yl}oxy)propanoic acid
CID 67973255
Methyl 2,2-dimethyl-3-[4-methyl-5-[5-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]pyridin-2-yl]oxypropanoate
CID 67973321
2,2-dimethyl-3-[(5-{4-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]-phenyl}pyridin-2-yl)oxy]propanoic acid
CID 67973331
methyl 3-[(5-{3-fluoro-4-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]phenyl}-4-methylpyridin-2-yl)oxy]-2,2-dimethylpropanoate
CID 67973406
1-[1-[[5-[3-Fluoro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]propyl]cyclobutane-1-carboxylic acid
CID 67973407
methyl 2,2-dimethyl-3-[(4-methyl-5-{5-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]pyrazin-2-yl}pyridin-2-yl)oxy]propanoate
CID 67973424
3-[(5-{3-fluoro-4-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]phenyl}-4-methylpyridin-2-yl)oxy]-2,2-dimethylpropanoic acid
CID 67973454
2,2-dimethyl-3-[(4-methyl-5-{5-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]-methyl}-1H-imidazol-2-yl]pyrazin-2-yl}pyridin-2-yl)oxy]propanoic acid
CID 67973519
1-[({4-methyl-6'-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]-3,3'-bipyridin-6-yl}oxy)methyl]-cyclobutanecarboxylic acid
CID 67975304
1-[({5'-chloro-4-methyl-6'-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]-3,3'-bipyridin-6-yl]oxy)methyl}cyclobutanecarboxylic acid
CID 67975310
methyl 2,2-dimethyl-3-({4-methyl-6'-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]-3,3'-bipyridin-6-yl}oxy)propanoate
CID 67975318

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (CID 158308671) is ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is CCOC(=O)C1(COc2cc(C)c(-c3cnc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)c(F)c3)cn2)CCC1.Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)c(F)c1.
What is the InChIKey of ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The InChIKey is GNKHOOPNGCUKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F4N4O4Si.C27H32F4N4O4Si/c1-6-40-27(38)28(8-7-9-28)17-41-24-12-19(2)21(15-34-24)20-13-22(30)25(35-14-20)26-36-23(29(31,32)33)16-37(26)18-39-10-11-42(3,4)5;1-17-10-22(39-15-26(25(36)37)6-5-7-26)32-13-19(17)18-11-20(28)23(33-12-18)24-34-21(27(29,30)31)14-35(24)16-38-8-9-40(2,3)4/h12-16H,6-11,17-18H2,1-5H3;10-14H,5-9,15-16H2,1-4H3,(H,36,37).
What are the key properties of ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid has a molecular weight of 1189.36 g/mol, XLogP of 13.32, 23 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate;1-[[5-[5-fluoro-6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 158308671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).