5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane

C20H24Br2N4OSi — CID 157109889

IUPAC5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESBrc1ccc2[nH]ncc2c1.C[Si](C)(C)CCOCn1ncc2cc(Br)ccc21
InChIInChI=1S/C13H19BrN2OSi.C7H5BrN2/c1-18(2,3)7-6-17-10-16-13-5-4-12(14)8-11(13)9-15-16;8-6-1-2-7-5(3-6)4-9-10-7/h4-5,8-9H,6-7,10H2,1-3H3;1-4H,(H,9,10)
InChIKeyAGSMNGVFPPCATN-UHFFFAOYSA-N
MW524.33 g/mol
LogP6.44
Rot. Bonds5

About 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane

5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 157109889) has the molecular formula C20H24Br2N4OSi and a molecular weight of 524.33 g/mol. Its IUPAC name is 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID157109889
Molecular FormulaC20H24Br2N4OSi
Molecular Weight524.33 g/mol
Exact Mass522.01
IUPAC Name5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESBrc1ccc2[nH]ncc2c1.C[Si](C)(C)CCOCn1ncc2cc(Br)ccc21
InChIInChI=1S/C13H19BrN2OSi.C7H5BrN2/c1-18(2,3)7-6-17-10-16-13-5-4-12(14)8-11(13)9-15-16;8-6-1-2-7-5(3-6)4-9-10-7/h4-5,8-9H,6-7,10H2,1-3H3;1-4H,(H,9,10)
InChIKeyAGSMNGVFPPCATN-UHFFFAOYSA-N
XLogP6.44
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.33
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
2-[(5-Bromo-6-fluoroindazol-2-yl)methoxy]ethyl-trimethylsilane
CID 90398403
2-[[3-(4-fluorophenyl)-4-(1H-indazol-5-yl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151847139
2-[(5-Bromo-6-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172299296
1-[[5-Bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 19047463
2-[[5-Bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 54436281
5-bromo-7-(bromomethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole
CID 57546163
5-bromo-7-methyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indazole
CID 58181208
5-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole
CID 58259768
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole
CID 66995153
5-Bromo-2-((2-(trimethylsilyl)ethoxy) methyl)-2H-indazole
CID 67155429
2-benzyl-4-bromoindazole;4-bromo-1H-indazole
CID 67187568

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 157109889) is 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane is Brc1ccc2[nH]ncc2c1.C[Si](C)(C)CCOCn1ncc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is AGSMNGVFPPCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OSi.C7H5BrN2/c1-18(2,3)7-6-17-10-16-13-5-4-12(14)8-11(13)9-15-16;8-6-1-2-7-5(3-6)4-9-10-7/h4-5,8-9H,6-7,10H2,1-3H3;1-4H,(H,9,10).
What are the key properties of 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane?
5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 524.33 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157109889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).