2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C20H24IN3OSi — CID 67552017

IUPAC2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccn2)c2c(I)cccc21
InChIInChI=1S/C20H24IN3OSi/c1-26(2,3)14-13-25-15-24-19-9-6-8-17(21)20(19)18(23-24)11-10-16-7-4-5-12-22-16/h4-12H,13-15H2,1-3H3/b11-10+
InChIKeyBETLKPILOZDYFO-ZHACJKMWSA-N
MW477.42 g/mol
LogP5.52
Rot. Bonds7

About 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67552017) has the molecular formula C20H24IN3OSi and a molecular weight of 477.42 g/mol. Its IUPAC name is 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID67552017
Molecular FormulaC20H24IN3OSi
Molecular Weight477.42 g/mol
Exact Mass477.07
IUPAC Name2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccn2)c2c(I)cccc21
InChIInChI=1S/C20H24IN3OSi/c1-26(2,3)14-13-25-15-24-19-9-6-8-17(21)20(19)18(23-24)11-10-16-7-4-5-12-22-16/h4-12H,13-15H2,1-3H3/b11-10+
InChIKeyBETLKPILOZDYFO-ZHACJKMWSA-N
XLogP5.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.42
LogP ≤ 55.52
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 67552017) is 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(/C=C/c2ccccn2)c2c(I)cccc21.
What is the InChIKey of 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BETLKPILOZDYFO-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H24IN3OSi/c1-26(2,3)14-13-25-15-24-19-9-6-8-17(21)20(19)18(23-24)11-10-16-7-4-5-12-22-16/h4-12H,13-15H2,1-3H3/b11-10+.
What are the key properties of 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 477.42 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-iodo-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67552017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).