2-[[4-bromo-6-(2,4-difluorophenoxy)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

C44H53BrF4N4O7Si2 — CID 87729344

IUPAC2-[[4-bromo-6-(2,4-difluorophenoxy)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
SMILESCC1(C)OCC(COc2cc(Oc3ccc(F)cc3F)cc3c2cnn3COCC[Si](C)(C)C)O1.C[Si](C)(C)CCOCn1ncc2c(Br)cc(Oc3ccc(F)cc3F)cc21
InChIInChI=1S/C25H32F2N2O5Si.C19H21BrF2N2O2Si/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;1-27(2,3)7-6-25-12-24-18-10-14(9-16(20)15(18)11-23-24)26-19-5-4-13(21)8-17(19)22/h6-7,10-13,19H,8-9,14-16H2,1-5H3;4-5,8-11H,6-7,12H2,1-3H3
InChIKeyDWRZNZDBZQLPNW-UHFFFAOYSA-N
MW962.00 g/mol
LogP12.13
Rot. Bonds17

About 2-[[4-bromo-6-(2,4-difluorophenoxy)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

2-[[4-bromo-6-(2,4-difluorophenoxy)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 87729344) has the molecular formula C44H53BrF4N4O7Si2 and a molecular weight of 962.00 g/mol. Its IUPAC name is 2-[[4-bromo-6-(2,4-difluorophenoxy)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.

Molecular Properties

Compound Name2-[[4-bromo-6-(2,4-difluorophenoxy)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 CID87729344
Molecular FormulaC44H53BrF4N4O7Si2
Molecular Weight962.00 g/mol
Exact Mass960.26
IUPAC Name2-[[4-bromo-6-(2,4-difluorophenoxy)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
SMILESCC1(C)OCC(COc2cc(Oc3ccc(F)cc3F)cc3c2cnn3COCC[Si](C)(C)C)O1.C[Si](C)(C)CCOCn1ncc2c(Br)cc(Oc3ccc(F)cc3F)cc21
InChIInChI=1S/C25H32F2N2O5Si.C19H21BrF2N2O2Si/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;1-27(2,3)7-6-25-12-24-18-10-14(9-16(20)15(18)11-23-24)26-19-5-4-13(21)8-17(19)22/h6-7,10-13,19H,8-9,14-16H2,1-5H3;4-5,8-11H,6-7,12H2,1-3H3
InChIKeyDWRZNZDBZQLPNW-UHFFFAOYSA-N
XLogP12.13
TPSA100.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500962.00
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[[4-bromo-6-(2,4-difluorophenoxy)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 with MolForge

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Related Compounds

CID 57886794
CID 57886794
CID 57886819
CID 57886819
CID 68818478
CID 68818478
CID 158266288
CID 158266288
CID 160326185
CID 160326185
CID 161058965
CID 161058965

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-6-(2,4-difluorophenoxy)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?
The IUPAC name of 2-[[4-bromo-6-(2,4-difluorophenoxy)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 (CID 87729344) is 2-[[4-bromo-6-(2,4-difluorophenoxy)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.
What is the SMILES notation for 2-[[4-bromo-6-(2,4-difluorophenoxy)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?
The canonical SMILES for 2-[[4-bromo-6-(2,4-difluorophenoxy)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 is CC1(C)OCC(COc2cc(Oc3ccc(F)cc3F)cc3c2cnn3COCC[Si](C)(C)C)O1.C[Si](C)(C)CCOCn1ncc2c(Br)cc(Oc3ccc(F)cc3F)cc21.
What is the InChIKey of 2-[[4-bromo-6-(2,4-difluorophenoxy)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?
The InChIKey is DWRZNZDBZQLPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O5Si.C19H21BrF2N2O2Si/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;1-27(2,3)7-6-25-12-24-18-10-14(9-16(20)15(18)11-23-24)26-19-5-4-13(21)8-17(19)22/h6-7,10-13,19H,8-9,14-16H2,1-5H3;4-5,8-11H,6-7,12H2,1-3H3.
What are the key properties of 2-[[4-bromo-6-(2,4-difluorophenoxy)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?
2-[[4-bromo-6-(2,4-difluorophenoxy)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 962.00 g/mol, XLogP of 12.13, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-6-(2,4-difluorophenoxy)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 is sourced from PubChem (CID 87729344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).