2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane

C19H23BrFN3OSi — CID 154403001

IUPAC2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane
SMILESCC(C)(C)[SiH2]OC(C)(C)c1cccc(-n2ncc3c(F)cc(Br)cc32)n1
InChIInChI=1S/C19H23BrFN3OSi/c1-18(2,3)26-25-19(4,5)16-7-6-8-17(23-16)24-15-10-12(20)9-14(21)13(15)11-22-24/h6-11H,26H2,1-5H3
InChIKeyAGUZZOXPTSJCAT-UHFFFAOYSA-N
MW436.40 g/mol
LogP4.88
Rot. Bonds4

About 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane

2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane (PubChem CID 154403001) has the molecular formula C19H23BrFN3OSi and a molecular weight of 436.40 g/mol. Its IUPAC name is 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane.

Molecular Properties

Compound Name2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane
PubChem CID154403001
Molecular FormulaC19H23BrFN3OSi
Molecular Weight436.40 g/mol
Exact Mass435.08
IUPAC Name2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane
SMILESCC(C)(C)[SiH2]OC(C)(C)c1cccc(-n2ncc3c(F)cc(Br)cc32)n1
InChIInChI=1S/C19H23BrFN3OSi/c1-18(2,3)26-25-19(4,5)16-7-6-8-17(23-16)24-15-10-12(20)9-14(21)13(15)11-22-24/h6-11H,26H2,1-5H3
InChIKeyAGUZZOXPTSJCAT-UHFFFAOYSA-N
XLogP4.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(6-Bromo-4-fluoro-1H-indazol-1-yl)-2-pyridinemethanol
CID 118663841
(6-Bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
CID 118663626
6-Bromo-1-(6-fluoro-2-pyridinyl)indazole
CID 118664077
6-Bromo-5-fluoro-1-(6-methyl-2-pyridinyl)indazole
CID 118664475
6-Bromo-1-[6-(fluoromethyl)-2-pyridinyl]indazole
CID 130247330
6-Bromo-1-(6-(((tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-4-fluoro-1H-indazole
CID 140798336
CID 140798455
CID 140798455
[6-Bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-fluoroindazol-3-yl]-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
CID 173699700
2-[1-(2-Aminopyrimidin-4-yl)-6-bromoindazol-3-yl]propan-2-ol
CID 68181837
6-Bromo-1-(4,6-dimethyl-2-pyridinyl)-1H-indazole
CID 118663911
6-Bromo-1-(6-isopropylpyridin-2-yl)-1h-indazole
CID 118664183
6-Bromo-1-(5,6-dimethyl-2-pyridinyl)-1H-indazole
CID 118664223

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane?
The IUPAC name of 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane (CID 154403001) is 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane.
What is the SMILES notation for 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane?
The canonical SMILES for 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane is CC(C)(C)[SiH2]OC(C)(C)c1cccc(-n2ncc3c(F)cc(Br)cc32)n1.
What is the InChIKey of 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane?
The InChIKey is AGUZZOXPTSJCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrFN3OSi/c1-18(2,3)26-25-19(4,5)16-7-6-8-17(23-16)24-15-10-12(20)9-14(21)13(15)11-22-24/h6-11H,26H2,1-5H3.
What are the key properties of 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane?
2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane has a molecular weight of 436.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]propan-2-yloxy-tert-butylsilane is sourced from PubChem (CID 154403001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).