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

C50H65BrF4N4O10Si2 — CID 161058965

IUPAC2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-(2,4-difluorophenoxy)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC[C@@H](CO)O1.CC1(C)OC[C@@H](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.C6H12O3/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;1-6(2)8-4-5(3-7)9-6/h6-7,10-13,19H,8-9,14-16H2,1-5H3;4-5,8-11H,6-7,12H2,1-3H3;5,7H,3-4H2,1-2H3/t19-;;5-/m1.1/s1
InChIKeyUDDFZSVALXYTIM-HBRITITKSA-N
MW1094.16 g/mol
LogP12.26
Rot. Bonds18

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

2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-(2,4-difluorophenoxy)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 161058965) has the molecular formula C50H65BrF4N4O10Si2 and a molecular weight of 1094.16 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-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-(2,4-difluorophenoxy)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID161058965
Molecular FormulaC50H65BrF4N4O10Si2
Molecular Weight1094.16 g/mol
Exact Mass1092.34
IUPAC Name2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-(2,4-difluorophenoxy)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC[C@@H](CO)O1.CC1(C)OC[C@@H](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.C6H12O3/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;1-6(2)8-4-5(3-7)9-6/h6-7,10-13,19H,8-9,14-16H2,1-5H3;4-5,8-11H,6-7,12H2,1-3H3;5,7H,3-4H2,1-2H3/t19-;;5-/m1.1/s1
InChIKeyUDDFZSVALXYTIM-HBRITITKSA-N
XLogP12.26
TPSA138.94 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001094.16
LogP ≤ 512.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol with MolForge

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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-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of 2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-(2,4-difluorophenoxy)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 161058965) is 2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-(2,4-difluorophenoxy)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
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-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for 2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-(2,4-difluorophenoxy)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)OC[C@@H](CO)O1.CC1(C)OC[C@@H](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-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is UDDFZSVALXYTIM-HBRITITKSA-N. The full InChI is InChI=1S/C25H32F2N2O5Si.C19H21BrF2N2O2Si.C6H12O3/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;1-6(2)8-4-5(3-7)9-6/h6-7,10-13,19H,8-9,14-16H2,1-5H3;4-5,8-11H,6-7,12H2,1-3H3;5,7H,3-4H2,1-2H3/t19-;;5-/m1.1/s1.
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-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-(2,4-difluorophenoxy)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 1094.16 g/mol, XLogP of 12.26, 18 rotatable bonds, 1 hydrogen bond donors, and 14 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-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indazol-1-yl]methoxy]ethyl-trimethylsilane;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 161058965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).