methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one

C52H68F6N8O9Si2 — CID 157453966

IUPACmethyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one
SMILESCOC(=O)C(C)(C)CO.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cn1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(=O)[nH]c2)nc1
InChIInChI=1S/C26H33F3N4O4Si.C20H23F3N4O2Si.C6H12O3/c1-25(2,24(34)35-3)16-37-22-10-8-18(13-31-22)20-9-7-19(14-30-20)23-32-21(26(27,28)29)15-33(23)17-36-11-12-38(4,5)6;1-30(2,3)9-8-29-13-27-12-17(20(21,22)23)26-19(27)15-4-6-16(24-11-15)14-5-7-18(28)25-10-14;1-6(2,4-7)5(8)9-3/h7-10,13-15H,11-12,16-17H2,1-6H3;4-7,10-12H,8-9,13H2,1-3H3,(H,25,28);7H,4H2,1-3H3
InChIKeyBTCZMKFWQRNHKS-UHFFFAOYSA-N
MW1119.32 g/mol
LogP10.73
Rot. Bonds20

About methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one

methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one (PubChem CID 157453966) has the molecular formula C52H68F6N8O9Si2 and a molecular weight of 1119.32 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one
PubChem CID157453966
Molecular FormulaC52H68F6N8O9Si2
Molecular Weight1119.32 g/mol
Exact Mass1118.46
IUPAC Namemethyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one
SMILESCOC(=O)C(C)(C)CO.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cn1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(=O)[nH]c2)nc1
InChIInChI=1S/C26H33F3N4O4Si.C20H23F3N4O2Si.C6H12O3/c1-25(2,24(34)35-3)16-37-22-10-8-18(13-31-22)20-9-7-19(14-30-20)23-32-21(26(27,28)29)15-33(23)17-36-11-12-38(4,5)6;1-30(2,3)9-8-29-13-27-12-17(20(21,22)23)26-19(27)15-4-6-16(24-11-15)14-5-7-18(28)25-10-14;1-6(2,4-7)5(8)9-3/h7-10,13-15H,11-12,16-17H2,1-6H3;4-7,10-12H,8-9,13H2,1-3H3,(H,25,28);7H,4H2,1-3H3
InChIKeyBTCZMKFWQRNHKS-UHFFFAOYSA-N
XLogP10.73
TPSA207.69 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.32
LogP ≤ 510.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one (CID 157453966) is methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one is COC(=O)C(C)(C)CO.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cn1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(=O)[nH]c2)nc1.
What is the InChIKey of methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
The InChIKey is BTCZMKFWQRNHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O4Si.C20H23F3N4O2Si.C6H12O3/c1-25(2,24(34)35-3)16-37-22-10-8-18(13-31-22)20-9-7-19(14-30-20)23-32-21(26(27,28)29)15-33(23)17-36-11-12-38(4,5)6;1-30(2,3)9-8-29-13-27-12-17(20(21,22)23)26-19(27)15-4-6-16(24-11-15)14-5-7-18(28)25-10-14;1-6(2,4-7)5(8)9-3/h7-10,13-15H,11-12,16-17H2,1-6H3;4-7,10-12H,8-9,13H2,1-3H3,(H,25,28);7H,4H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one has a molecular weight of 1119.32 g/mol, XLogP of 10.73, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[[5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoate;methyl 3-hydroxy-2,2-dimethylpropanoate;5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 157453966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).