methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate

C26H34F3N5O4Si — CID 67973424

IUPACmethyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate
SMILESCOC(=O)C(C)(C)COc1cc(C)c(-c2cnc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cn1
InChIInChI=1S/C26H34F3N5O4Si/c1-17-10-22(38-15-25(2,3)24(35)36-4)32-11-18(17)19-12-31-20(13-30-19)23-33-21(26(27,28)29)14-34(23)16-37-8-9-39(5,6)7/h10-14H,8-9,15-16H2,1-7H3
InChIKeyIOXAYLFGFYRGNP-UHFFFAOYSA-N
MW565.67 g/mol
LogP5.62
Rot. Bonds11

About methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate

methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate (PubChem CID 67973424) has the molecular formula C26H34F3N5O4Si and a molecular weight of 565.67 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate
PubChem CID67973424
Molecular FormulaC26H34F3N5O4Si
Molecular Weight565.67 g/mol
Exact Mass565.23
IUPAC Namemethyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate
SMILESCOC(=O)C(C)(C)COc1cc(C)c(-c2cnc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cn1
InChIInChI=1S/C26H34F3N5O4Si/c1-17-10-22(38-15-25(2,3)24(35)36-4)32-11-18(17)19-12-31-20(13-30-19)23-33-21(26(27,28)29)14-34(23)16-37-8-9-39(5,6)7/h10-14H,8-9,15-16H2,1-7H3
InChIKeyIOXAYLFGFYRGNP-UHFFFAOYSA-N
XLogP5.62
TPSA101.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.67
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate (CID 67973424) is methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate is COC(=O)C(C)(C)COc1cc(C)c(-c2cnc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cn1.
What is the InChIKey of methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate?
The InChIKey is IOXAYLFGFYRGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5O4Si/c1-17-10-22(38-15-25(2,3)24(35)36-4)32-11-18(17)19-12-31-20(13-30-19)23-33-21(26(27,28)29)14-34(23)16-37-8-9-39(5,6)7/h10-14H,8-9,15-16H2,1-7H3.
What are the key properties of methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate?
methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate has a molecular weight of 565.67 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 67973424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).