3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile

C20H22FN3OSi — CID 156845920

IUPAC3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(F)cc2)c2cc(C#N)cnc21
InChIInChI=1S/C20H22FN3OSi/c1-26(2,3)9-8-25-14-24-13-19(16-4-6-17(21)7-5-16)18-10-15(11-22)12-23-20(18)24/h4-7,10,12-13H,8-9,14H2,1-3H3
InChIKeyRNMSKIBDDDAMFS-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.03
Rot. Bonds6

About 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile

3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 156845920) has the molecular formula C20H22FN3OSi and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID156845920
Molecular FormulaC20H22FN3OSi
Molecular Weight367.50 g/mol
Exact Mass367.15
IUPAC Name3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(F)cc2)c2cc(C#N)cnc21
InChIInChI=1S/C20H22FN3OSi/c1-26(2,3)9-8-25-14-24-13-19(16-4-6-17(21)7-5-16)18-10-15(11-22)12-23-20(18)24/h4-7,10,12-13H,8-9,14H2,1-3H3
InChIKeyRNMSKIBDDDAMFS-UHFFFAOYSA-N
XLogP5.03
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.03
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 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 156845920) is 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile is C[Si](C)(C)CCOCn1cc(-c2ccc(F)cc2)c2cc(C#N)cnc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is RNMSKIBDDDAMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OSi/c1-26(2,3)9-8-25-14-24-13-19(16-4-6-17(21)7-5-16)18-10-15(11-22)12-23-20(18)24/h4-7,10,12-13H,8-9,14H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 367.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 156845920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).