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

C29H37F3N4O4Si — CID 67975466

IUPACethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(COc2cc(C)c(-c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)nc3)cn2)CCC1
InChIInChI=1S/C29H37F3N4O4Si/c1-6-39-27(37)28(10-7-11-28)18-40-25-14-20(2)22(16-34-25)21-8-9-23(33-15-21)26-35-24(29(30,31)32)17-36(26)19-38-12-13-41(3,4)5/h8-9,14-17H,6-7,10-13,18-19H2,1-5H3
InChIKeyQLMNDSALWZFVRC-UHFFFAOYSA-N
MW590.72 g/mol
LogP6.76
Rot. Bonds12

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

ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate (PubChem CID 67975466) has the molecular formula C29H37F3N4O4Si and a molecular weight of 590.72 g/mol. Its IUPAC name is ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
PubChem CID67975466
Molecular FormulaC29H37F3N4O4Si
Molecular Weight590.72 g/mol
Exact Mass590.25
IUPAC Nameethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(COc2cc(C)c(-c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)nc3)cn2)CCC1
InChIInChI=1S/C29H37F3N4O4Si/c1-6-39-27(37)28(10-7-11-28)18-40-25-14-20(2)22(16-34-25)21-8-9-23(33-15-21)26-35-24(29(30,31)32)17-36(26)19-38-12-13-41(3,4)5/h8-9,14-17H,6-7,10-13,18-19H2,1-5H3
InChIKeyQLMNDSALWZFVRC-UHFFFAOYSA-N
XLogP6.76
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

3-[(5-{3-fluoro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}-4-methylpyridin-2-yl)oxy]-2,2-dimethylpropanoic acid
CID 57411100
1-{[(5-{3-fluoro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}-4-methylpyridin-2-yl)oxy]methyl}cyclobutanecarboxylic acid
CID 57411218
2-ethyl-2-[[5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-3-yl]pyridin-2-yl]oxymethyl]butanoic acid
CID 68053926
2,2-dimethyl-3-[4-methyl-5-[4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]pyridin-2-yl]oxypropanoic acid
CID 89831308
2,2-dimethyl-3-[4-methyl-5-[5-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-3-yl]pyridin-2-yl]oxypropanoic acid
CID 89831364
2,2-dimethyl-3-[4-methyl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]pyridin-2-yl]oxypropanoic acid
CID 57410984
2,2-dimethyl-3-[6-methyl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]pyridin-2-yl]oxypropanoic acid
CID 57410986
3-[5-[3-fluoro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]pyridin-2-yl]oxy-2,2-dimethylpropanoic acid
CID 57411097
2,2-dimethyl-3-({4-methyl-6'-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3,3'-bipyridin-6-yl}oxy)propanoic acid
CID 67975246
2,2-dimethyl-3-[(5-{4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}pyridin-2-yl)oxy]propanoic acid
CID 67975283
1-[({4-methyl-6'-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3,3'-bipyridin-6-yl}oxy)methyl]cyclobutanecarboxylic acid
CID 67975289
2-ethyl-2-[[5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-yl]pyridin-2-yl]oxymethyl]butanoic acid
CID 68053925

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate (CID 67975466) is ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate is CCOC(=O)C1(COc2cc(C)c(-c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)nc3)cn2)CCC1.
What is the InChIKey of ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate?
The InChIKey is QLMNDSALWZFVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F3N4O4Si/c1-6-39-27(37)28(10-7-11-28)18-40-25-14-20(2)22(16-34-25)21-8-9-23(33-15-21)26-35-24(29(30,31)32)17-36(26)19-38-12-13-41(3,4)5/h8-9,14-17H,6-7,10-13,18-19H2,1-5H3.
What are the key properties of ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate?
ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate has a molecular weight of 590.72 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 67975466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).