2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane

C19H24BrClFN3OSi — CID 140874598

IUPAC2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2cn(COCC[Si](C)(C)C)nc2Cl)c2cc(Br)c(F)cc21
InChIInChI=1S/C19H24BrClFN3OSi/c1-5-24-10-14(13-8-16(20)17(22)9-18(13)24)15-11-25(23-19(15)21)12-26-6-7-27(2,3)4/h8-11H,5-7,12H2,1-4H3
InChIKeyMSBINSMRXZOCEP-UHFFFAOYSA-N
MW472.86 g/mol
LogP6.39
Rot. Bonds7

About 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140874598) has the molecular formula C19H24BrClFN3OSi and a molecular weight of 472.86 g/mol. Its IUPAC name is 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140874598
Molecular FormulaC19H24BrClFN3OSi
Molecular Weight472.86 g/mol
Exact Mass471.05
IUPAC Name2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2cn(COCC[Si](C)(C)C)nc2Cl)c2cc(Br)c(F)cc21
InChIInChI=1S/C19H24BrClFN3OSi/c1-5-24-10-14(13-8-16(20)17(22)9-18(13)24)15-11-25(23-19(15)21)12-26-6-7-27(2,3)4/h8-11H,5-7,12H2,1-4H3
InChIKeyMSBINSMRXZOCEP-UHFFFAOYSA-N
XLogP6.39
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.86
LogP ≤ 56.39
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 140874598) is 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane is CCn1cc(-c2cn(COCC[Si](C)(C)C)nc2Cl)c2cc(Br)c(F)cc21.
What is the InChIKey of 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MSBINSMRXZOCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrClFN3OSi/c1-5-24-10-14(13-8-16(20)17(22)9-18(13)24)15-11-25(23-19(15)21)12-26-6-7-27(2,3)4/h8-11H,5-7,12H2,1-4H3.
What are the key properties of 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 472.86 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-bromo-1-ethyl-6-fluoroindol-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140874598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).