5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile

C21H24ClFN4O2Si — CID 171647712

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCC(Oc1cc(Cl)cc2ncc(C#N)n12)c1ccc(F)cn1
InChIInChI=1S/C21H24ClFN4O2Si/c1-21(2,3)30(4,5)28-13-18(17-7-6-15(23)11-25-17)29-20-9-14(22)8-19-26-12-16(10-24)27(19)20/h6-9,11-12,18H,13H2,1-5H3
InChIKeyQCNFQOSWLOSCMY-UHFFFAOYSA-N
MW446.99 g/mol
LogP5.54
Rot. Bonds6

About 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile

5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 171647712) has the molecular formula C21H24ClFN4O2Si and a molecular weight of 446.99 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID171647712
Molecular FormulaC21H24ClFN4O2Si
Molecular Weight446.99 g/mol
Exact Mass446.13
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCC(Oc1cc(Cl)cc2ncc(C#N)n12)c1ccc(F)cn1
InChIInChI=1S/C21H24ClFN4O2Si/c1-21(2,3)30(4,5)28-13-18(17-7-6-15(23)11-25-17)29-20-9-14(22)8-19-26-12-16(10-24)27(19)20/h6-9,11-12,18H,13H2,1-5H3
InChIKeyQCNFQOSWLOSCMY-UHFFFAOYSA-N
XLogP5.54
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.99
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile (CID 171647712) is 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile is CC(C)(C)[Si](C)(C)OCC(Oc1cc(Cl)cc2ncc(C#N)n12)c1ccc(F)cn1.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is QCNFQOSWLOSCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O2Si/c1-21(2,3)30(4,5)28-13-18(17-7-6-15(23)11-25-17)29-20-9-14(22)8-19-26-12-16(10-24)27(19)20/h6-9,11-12,18H,13H2,1-5H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile?
5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 446.99 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-7-chloroimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171647712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).