methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate

C22H27FN2O4Si — CID 154372202

IUPACmethyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cn(COCC[Si](C)(C)C)c2nccc(-c3cc(F)ccc3OC)c12
InChIInChI=1S/C22H27FN2O4Si/c1-27-19-7-6-15(23)12-17(19)16-8-9-24-21-20(16)18(22(26)28-2)13-25(21)14-29-10-11-30(3,4)5/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyNCSQTLLTSXLHIT-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.95
Rot. Bonds8

About methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate

methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 154372202) has the molecular formula C22H27FN2O4Si and a molecular weight of 430.55 g/mol. Its IUPAC name is methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID154372202
Molecular FormulaC22H27FN2O4Si
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Namemethyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cn(COCC[Si](C)(C)C)c2nccc(-c3cc(F)ccc3OC)c12
InChIInChI=1S/C22H27FN2O4Si/c1-27-19-7-6-15(23)12-17(19)16-8-9-24-21-20(16)18(22(26)28-2)13-25(21)14-29-10-11-30(3,4)5/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyNCSQTLLTSXLHIT-UHFFFAOYSA-N
XLogP4.95
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate (CID 154372202) is methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate is COC(=O)c1cn(COCC[Si](C)(C)C)c2nccc(-c3cc(F)ccc3OC)c12.
What is the InChIKey of methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is NCSQTLLTSXLHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4Si/c1-27-19-7-6-15(23)12-17(19)16-8-9-24-21-20(16)18(22(26)28-2)13-25(21)14-29-10-11-30(3,4)5/h6-9,12-13H,10-11,14H2,1-5H3.
What are the key properties of methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate?
methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 430.55 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 154372202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).