2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C18H21BrFN3OSi — CID 171839827

IUPAC2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2cc(Br)ncc2F)c2ccccc21
InChIInChI=1S/C18H21BrFN3OSi/c1-25(2,3)9-8-24-12-23-16-7-5-4-6-13(16)18(22-23)14-10-17(19)21-11-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyWZWTULQNIQYCBM-UHFFFAOYSA-N
MW422.37 g/mol
LogP5.31
Rot. Bonds6

About 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171839827) has the molecular formula C18H21BrFN3OSi and a molecular weight of 422.37 g/mol. Its IUPAC name is 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID171839827
Molecular FormulaC18H21BrFN3OSi
Molecular Weight422.37 g/mol
Exact Mass421.06
IUPAC Name2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2cc(Br)ncc2F)c2ccccc21
InChIInChI=1S/C18H21BrFN3OSi/c1-25(2,3)9-8-24-12-23-16-7-5-4-6-13(16)18(22-23)14-10-17(19)21-11-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyWZWTULQNIQYCBM-UHFFFAOYSA-N
XLogP5.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.37
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(1H-benzimidazol-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 141075677
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 90391052
2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
CID 175820295
5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 58540680
2-[(5-bromo-17-fluoro-7,11-dioxa-20,23,24-triazapentacyclo[17.5.2.12,6.013,18.022,25]heptacosa-1(24),2(27),3,5,13(18),14,16,19,21,25-decaen-23-yl)methoxy]ethyl-trimethylsilane
CID 172516196
tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 54577000
2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane
CID 159759236
2-[[3-(5-bromo-6-fluoro-2,5-dimethyl-1,3,4,4a-tetrahydroisoquinolin-1-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 166518877

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 171839827) is 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2cc(Br)ncc2F)c2ccccc21.
What is the InChIKey of 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WZWTULQNIQYCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN3OSi/c1-25(2,3)9-8-24-12-23-16-7-5-4-6-13(16)18(22-23)14-10-17(19)21-11-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 422.37 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171839827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).