1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one

C24H24FNO2Si — CID 22051088

IUPAC1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one
SMILESC[Si](C)(C)C#Cc1c(OCc2ccccc2)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C24H24FNO2Si/c1-29(2,3)15-13-22-23(28-18-19-8-5-4-6-9-19)12-14-26(24(22)27)17-20-10-7-11-21(25)16-20/h4-12,14,16H,17-18H2,1-3H3
InChIKeyXNXZJUJRRXLBIX-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.84
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one

1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one (PubChem CID 22051088) has the molecular formula C24H24FNO2Si and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one
PubChem CID22051088
Molecular FormulaC24H24FNO2Si
Molecular Weight405.55 g/mol
Exact Mass405.16
IUPAC Name1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one
SMILESC[Si](C)(C)C#Cc1c(OCc2ccccc2)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C24H24FNO2Si/c1-29(2,3)15-13-22-23(28-18-19-8-5-4-6-9-19)12-14-26(24(22)27)17-20-10-7-11-21(25)16-20/h4-12,14,16H,17-18H2,1-3H3
InChIKeyXNXZJUJRRXLBIX-UHFFFAOYSA-N
XLogP4.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one (CID 22051088) is 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one is C[Si](C)(C)C#Cc1c(OCc2ccccc2)ccn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one?
The InChIKey is XNXZJUJRRXLBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2Si/c1-29(2,3)15-13-22-23(28-18-19-8-5-4-6-9-19)12-14-26(24(22)27)17-20-10-7-11-21(25)16-20/h4-12,14,16H,17-18H2,1-3H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one?
1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one has a molecular weight of 405.55 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one is sourced from PubChem (CID 22051088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).