2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane

C25H32F2N2O5Si — CID 68818478

IUPAC2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(C)OCC(COc2cc(Oc3ccc(F)cc3F)cc3c2cnn3COCC[Si](C)(C)C)O1
InChIInChI=1S/C25H32F2N2O5Si/c1-25(2)32-15-19(34-25)14-31-24-12-18(33-23-7-6-17(26)10-21(23)27)11-22-20(24)13-28-29(22)16-30-8-9-35(3,4)5/h6-7,10-13,19H,8-9,14-16H2,1-5H3
InChIKeyMYQBWQUPVOMBHT-UHFFFAOYSA-N
MW506.62 g/mol
LogP5.95
Rot. Bonds10

About 2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 68818478) has the molecular formula C25H32F2N2O5Si and a molecular weight of 506.62 g/mol. Its IUPAC name is 2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID68818478
Molecular FormulaC25H32F2N2O5Si
Molecular Weight506.62 g/mol
Exact Mass506.20
IUPAC Name2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(C)OCC(COc2cc(Oc3ccc(F)cc3F)cc3c2cnn3COCC[Si](C)(C)C)O1
InChIInChI=1S/C25H32F2N2O5Si/c1-25(2)32-15-19(34-25)14-31-24-12-18(33-23-7-6-17(26)10-21(23)27)11-22-20(24)13-28-29(22)16-30-8-9-35(3,4)5/h6-7,10-13,19H,8-9,14-16H2,1-5H3
InChIKeyMYQBWQUPVOMBHT-UHFFFAOYSA-N
XLogP5.95
TPSA63.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.62
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 68818478) is 2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane is CC1(C)OCC(COc2cc(Oc3ccc(F)cc3F)cc3c2cnn3COCC[Si](C)(C)C)O1.
What is the InChIKey of 2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MYQBWQUPVOMBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O5Si/c1-25(2)32-15-19(34-25)14-31-24-12-18(33-23-7-6-17(26)10-21(23)27)11-22-20(24)13-28-29(22)16-30-8-9-35(3,4)5/h6-7,10-13,19H,8-9,14-16H2,1-5H3.
What are the key properties of 2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 506.62 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,4-difluorophenoxy)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 68818478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).