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

C22H14F3N3O — CID 46227797

IUPAC7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(Oc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)12-16-14-27-21-20(13-26)19(10-11-28(16)21)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-11,14H,12H2
InChIKeyXUEKGQFKNRTPSP-UHFFFAOYSA-N
MW393.37 g/mol
LogP5.77
Rot. Bonds4

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

7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 46227797) has the molecular formula C22H14F3N3O and a molecular weight of 393.37 g/mol. Its IUPAC name is 7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID46227797
Molecular FormulaC22H14F3N3O
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(Oc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)12-16-14-27-21-20(13-26)19(10-11-28(16)21)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-11,14H,12H2
InChIKeyXUEKGQFKNRTPSP-UHFFFAOYSA-N
XLogP5.77
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.37
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 46227797) is 7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1c(-c2ccc(Oc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12.
What is the InChIKey of 7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is XUEKGQFKNRTPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O/c23-22(24,25)12-16-14-27-21-20(13-26)19(10-11-28(16)21)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-11,14H,12H2.
What are the key properties of 7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 393.37 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 46227797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).