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

C23H16F3N3O — CID 46227786

IUPAC7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(OCc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)12-18-14-28-22-21(13-27)20(10-11-29(18)22)17-6-8-19(9-7-17)30-15-16-4-2-1-3-5-16/h1-11,14H,12,15H2
InChIKeyXCHLXDQWONTODB-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.56
Rot. Bonds5

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

7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 46227786) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID46227786
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(OCc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)12-18-14-28-22-21(13-27)20(10-11-29(18)22)17-6-8-19(9-7-17)30-15-16-4-2-1-3-5-16/h1-11,14H,12,15H2
InChIKeyXCHLXDQWONTODB-UHFFFAOYSA-N
XLogP5.56
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 46227786) is 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1c(-c2ccc(OCc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12.
What is the InChIKey of 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is XCHLXDQWONTODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)12-18-14-28-22-21(13-27)20(10-11-29(18)22)17-6-8-19(9-7-17)30-15-16-4-2-1-3-5-16/h1-11,14H,12,15H2.
What are the key properties of 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 407.40 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 46227786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).