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

C31H39F3N6O3Si2 — CID 68888171

IUPACtrimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc3cc(OC(F)(F)F)ccc3n2COCC[Si](C)(C)C)c2cc(-c3cccnc3)cnc21
InChIInChI=1S/C31H39F3N6O3Si2/c1-44(2,3)14-12-41-20-39-27-10-9-24(43-31(32,33)34)17-26(27)37-30(39)28-25-16-23(22-8-7-11-35-18-22)19-36-29(25)40(38-28)21-42-13-15-45(4,5)6/h7-11,16-19H,12-15,20-21H2,1-6H3
InChIKeyBNOXVMTTYYWRLK-UHFFFAOYSA-N
MW656.86 g/mol
LogP8.03
Rot. Bonds13

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

trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 68888171) has the molecular formula C31H39F3N6O3Si2 and a molecular weight of 656.86 g/mol. Its IUPAC name is trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID68888171
Molecular FormulaC31H39F3N6O3Si2
Molecular Weight656.86 g/mol
Exact Mass656.26
IUPAC Nametrimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc3cc(OC(F)(F)F)ccc3n2COCC[Si](C)(C)C)c2cc(-c3cccnc3)cnc21
InChIInChI=1S/C31H39F3N6O3Si2/c1-44(2,3)14-12-41-20-39-27-10-9-24(43-31(32,33)34)17-26(27)37-30(39)28-25-16-23(22-8-7-11-35-18-22)19-36-29(25)40(38-28)21-42-13-15-45(4,5)6/h7-11,16-19H,12-15,20-21H2,1-6H3
InChIKeyBNOXVMTTYYWRLK-UHFFFAOYSA-N
XLogP8.03
TPSA89.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.86
LogP ≤ 58.03
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane (CID 68888171) is trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(-c2nc3cc(OC(F)(F)F)ccc3n2COCC[Si](C)(C)C)c2cc(-c3cccnc3)cnc21.
What is the InChIKey of trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is BNOXVMTTYYWRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39F3N6O3Si2/c1-44(2,3)14-12-41-20-39-27-10-9-24(43-31(32,33)34)17-26(27)37-30(39)28-25-16-23(22-8-7-11-35-18-22)19-36-29(25)40(38-28)21-42-13-15-45(4,5)6/h7-11,16-19H,12-15,20-21H2,1-6H3.
What are the key properties of trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 656.86 g/mol, XLogP of 8.03, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 68888171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).