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

C18H21BrFN3OSi — CID 90391170

IUPAC2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21
InChIInChI=1S/C18H21BrFN3OSi/c1-25(2,3)9-8-24-12-23-16-5-4-14(19)11-15(16)18(22-23)13-6-7-21-17(20)10-13/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyCQDYJIPDLUENTI-UHFFFAOYSA-N
MW422.37 g/mol
LogP5.31
Rot. Bonds6

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

2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90391170) has the molecular formula C18H21BrFN3OSi and a molecular weight of 422.37 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90391170
Molecular FormulaC18H21BrFN3OSi
Molecular Weight422.37 g/mol
Exact Mass421.06
IUPAC Name2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21
InChIInChI=1S/C18H21BrFN3OSi/c1-25(2,3)9-8-24-12-23-16-5-4-14(19)11-15(16)18(22-23)13-6-7-21-17(20)10-13/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyCQDYJIPDLUENTI-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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90391170) is 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21.
What is the InChIKey of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CQDYJIPDLUENTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN3OSi/c1-25(2,3)9-8-24-12-23-16-5-4-14(19)11-15(16)18(22-23)13-6-7-21-17(20)10-13/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(2-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-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90391170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).