7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

C20H18F3N3 — CID 46227795

IUPAC7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCC(C)(C)c1ccc(-c2ccn3c(CC(F)(F)F)cnc3c2C#N)cc1
InChIInChI=1S/C20H18F3N3/c1-19(2,3)14-6-4-13(5-7-14)16-8-9-26-15(10-20(21,22)23)12-25-18(26)17(16)11-24/h4-9,12H,10H2,1-3H3
InChIKeyVODBIEFPGCSQCF-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.28
Rot. Bonds2

About 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 46227795) has the molecular formula C20H18F3N3 and a molecular weight of 357.38 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID46227795
Molecular FormulaC20H18F3N3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCC(C)(C)c1ccc(-c2ccn3c(CC(F)(F)F)cnc3c2C#N)cc1
InChIInChI=1S/C20H18F3N3/c1-19(2,3)14-6-4-13(5-7-14)16-8-9-26-15(10-20(21,22)23)12-25-18(26)17(16)11-24/h4-9,12H,10H2,1-3H3
InChIKeyVODBIEFPGCSQCF-UHFFFAOYSA-N
XLogP5.28
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 46227795) is 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is CC(C)(C)c1ccc(-c2ccn3c(CC(F)(F)F)cnc3c2C#N)cc1.
What is the InChIKey of 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is VODBIEFPGCSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3/c1-19(2,3)14-6-4-13(5-7-14)16-8-9-26-15(10-20(21,22)23)12-25-18(26)17(16)11-24/h4-9,12H,10H2,1-3H3.
What are the key properties of 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 357.38 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 46227795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).