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

C48H52F6N8O7Si — CID 157380211

IUPAC1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(OCC2(C(=O)O)CCC2)ncc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)nc1.Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)nc1
InChIInChI=1S/C27H33F3N4O4Si.C21H19F3N4O3/c1-18-12-23(38-16-26(25(35)36)8-5-9-26)32-14-20(18)19-6-7-21(31-13-19)24-33-22(27(28,29)30)15-34(24)17-37-10-11-39(2,3)4;1-12-7-17(31-11-20(19(29)30)5-2-6-20)26-9-14(12)13-3-4-15(25-8-13)18-27-10-16(28-18)21(22,23)24/h6-7,12-15H,5,8-11,16-17H2,1-4H3,(H,35,36);3-4,7-10H,2,5-6,11H2,1H3,(H,27,28)(H,29,30)
InChIKeyBKUGIMXCHPOSOX-UHFFFAOYSA-N
MW995.07 g/mol
LogP10.77
Rot. Bonds17

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

1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (PubChem CID 157380211) has the molecular formula C48H52F6N8O7Si and a molecular weight of 995.07 g/mol. Its IUPAC name is 1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
PubChem CID157380211
Molecular FormulaC48H52F6N8O7Si
Molecular Weight995.07 g/mol
Exact Mass994.36
IUPAC Name1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(OCC2(C(=O)O)CCC2)ncc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)nc1.Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)nc1
InChIInChI=1S/C27H33F3N4O4Si.C21H19F3N4O3/c1-18-12-23(38-16-26(25(35)36)8-5-9-26)32-14-20(18)19-6-7-21(31-13-19)24-33-22(27(28,29)30)15-34(24)17-37-10-11-39(2,3)4;1-12-7-17(31-11-20(19(29)30)5-2-6-20)26-9-14(12)13-3-4-15(25-8-13)18-27-10-16(28-18)21(22,23)24/h6-7,12-15H,5,8-11,16-17H2,1-4H3,(H,35,36);3-4,7-10H,2,5-6,11H2,1H3,(H,27,28)(H,29,30)
InChIKeyBKUGIMXCHPOSOX-UHFFFAOYSA-N
XLogP10.77
TPSA200.35 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500995.07
LogP ≤ 510.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Related Compounds

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-[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-6'-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3,3'-bipyridin-6-yl}oxy)propanoic acid
CID 67975246
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
1-[[5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-3-yl]pyridin-2-yl]oxymethyl]cyclopentane-1-carboxylic acid
CID 68053927
1-[[5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-yl]pyridin-2-yl]oxymethyl]cyclopentane-1-carboxylic acid
CID 68053929
2,2-dimethyl-3-[5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-yl]pyridin-2-yl]oxypropanoic acid
CID 68053967
2,2-dimethyl-3-[6-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-yl]pyridin-2-yl]oxypropanoic acid
CID 68053971
1-[({5'-chloro-4-methyl-6'-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3,3'-bipyridin-6-yl}oxy)methyl]cyclobutanecarboxylic acid
CID 68053978
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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (CID 157380211) is 1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)nc1.Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)nc1.
What is the InChIKey of 1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The InChIKey is BKUGIMXCHPOSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N4O4Si.C21H19F3N4O3/c1-18-12-23(38-16-26(25(35)36)8-5-9-26)32-14-20(18)19-6-7-21(31-13-19)24-33-22(27(28,29)30)15-34(24)17-37-10-11-39(2,3)4;1-12-7-17(31-11-20(19(29)30)5-2-6-20)26-9-14(12)13-3-4-15(25-8-13)18-27-10-16(28-18)21(22,23)24/h6-7,12-15H,5,8-11,16-17H2,1-4H3,(H,35,36);3-4,7-10H,2,5-6,11H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid has a molecular weight of 995.07 g/mol, XLogP of 10.77, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid;1-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 157380211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).