2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C26H35BrF3N5O3Si2 — CID 68886473

IUPAC2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc3cc(OC(F)(F)F)ccc3n2COCC[Si](C)(C)C)c2cc(Br)cnc21
InChIInChI=1S/C26H35BrF3N5O3Si2/c1-39(2,3)11-9-36-16-34-22-8-7-19(38-26(28,29)30)14-21(22)32-25(34)23-20-13-18(27)15-31-24(20)35(33-23)17-37-10-12-40(4,5)6/h7-8,13-15H,9-12,16-17H2,1-6H3
InChIKeyOGNZIKCHFAWWLX-UHFFFAOYSA-N
MW658.67 g/mol
LogP7.73
Rot. Bonds12

About 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 68886473) has the molecular formula C26H35BrF3N5O3Si2 and a molecular weight of 658.67 g/mol. Its IUPAC name is 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID68886473
Molecular FormulaC26H35BrF3N5O3Si2
Molecular Weight658.67 g/mol
Exact Mass657.14
IUPAC Name2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc3cc(OC(F)(F)F)ccc3n2COCC[Si](C)(C)C)c2cc(Br)cnc21
InChIInChI=1S/C26H35BrF3N5O3Si2/c1-39(2,3)11-9-36-16-34-22-8-7-19(38-26(28,29)30)14-21(22)32-25(34)23-20-13-18(27)15-31-24(20)35(33-23)17-37-10-12-40(4,5)6/h7-8,13-15H,9-12,16-17H2,1-6H3
InChIKeyOGNZIKCHFAWWLX-UHFFFAOYSA-N
XLogP7.73
TPSA76.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.67
LogP ≤ 57.73
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 68886473) is 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2nc3cc(OC(F)(F)F)ccc3n2COCC[Si](C)(C)C)c2cc(Br)cnc21.
What is the InChIKey of 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OGNZIKCHFAWWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35BrF3N5O3Si2/c1-39(2,3)11-9-36-16-34-22-8-7-19(38-26(28,29)30)14-21(22)32-25(34)23-20-13-18(27)15-31-24(20)35(33-23)17-37-10-12-40(4,5)6/h7-8,13-15H,9-12,16-17H2,1-6H3.
What are the key properties of 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 658.67 g/mol, XLogP of 7.73, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 68886473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).