2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C20H27BrN4OSi — CID 156792686

IUPAC2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc2c(cc1Br)c(/C=C/c1cnn(C)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C20H27BrN4OSi/c1-15-10-20-17(11-18(15)21)19(7-6-16-12-22-24(2)13-16)23-25(20)14-26-8-9-27(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3/b7-6+
InChIKeyZEVNISNSJAXRMJ-VOTSOKGWSA-N
MW447.45 g/mol
LogP5.32
Rot. Bonds7

About 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 156792686) has the molecular formula C20H27BrN4OSi and a molecular weight of 447.45 g/mol. Its IUPAC name is 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID156792686
Molecular FormulaC20H27BrN4OSi
Molecular Weight447.45 g/mol
Exact Mass446.11
IUPAC Name2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc2c(cc1Br)c(/C=C/c1cnn(C)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C20H27BrN4OSi/c1-15-10-20-17(11-18(15)21)19(7-6-16-12-22-24(2)13-16)23-25(20)14-26-8-9-27(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3/b7-6+
InChIKeyZEVNISNSJAXRMJ-VOTSOKGWSA-N
XLogP5.32
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-1,6-dimethyl-1H-indazole
CID 44119458
5-Bromo-3-(2-fluoro-4-pyridinyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazole
CID 90391170
2-[(5-Bromo-6-fluoroindazol-2-yl)methoxy]ethyl-trimethylsilane
CID 90398403
5-Bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole
CID 139530343
5-Bromo-4-fluoro-2-methyl-3-(1-methylpyrazol-4-yl)indazole
CID 139530489
5-Bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole
CID 139556509
2-[(5-Bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 140874198
2-[[4-(5-Bromo-1-ethyl-7-fluoroindol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140874574
2-[[4-(5-Bromo-1-ethylindol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140874595
2-[[4-(5-Bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140874598
2-[[4-[5-Bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140874600
2-[(4-Bromo-5-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 163233626

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 156792686) is 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc2c(cc1Br)c(/C=C/c1cnn(C)c1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZEVNISNSJAXRMJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H27BrN4OSi/c1-15-10-20-17(11-18(15)21)19(7-6-16-12-22-24(2)13-16)23-25(20)14-26-8-9-27(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3/b7-6+.
What are the key properties of 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 447.45 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-methyl-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156792686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).