4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine

C25H21ClF3N3O — CID 121309666

IUPAC4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C25H21ClF3N3O/c26-19-8-5-17(6-9-19)24-22(16-31-11-13-33-14-12-31)32-15-18(7-10-23(32)30-24)20-3-1-2-4-21(20)25(27,28)29/h1-10,15H,11-14,16H2
InChIKeyOXWJWTTUBFGEBR-UHFFFAOYSA-N
MW471.91 g/mol
LogP6.17
Rot. Bonds4

About 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine

4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 121309666) has the molecular formula C25H21ClF3N3O and a molecular weight of 471.91 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
PubChem CID121309666
Molecular FormulaC25H21ClF3N3O
Molecular Weight471.91 g/mol
Exact Mass471.13
IUPAC Name4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C25H21ClF3N3O/c26-19-8-5-17(6-9-19)24-22(16-31-11-13-33-14-12-31)32-15-18(7-10-23(32)30-24)20-3-1-2-4-21(20)25(27,28)29/h1-10,15H,11-14,16H2
InChIKeyOXWJWTTUBFGEBR-UHFFFAOYSA-N
XLogP6.17
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.91
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 121309666) is 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is FC(F)(F)c1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is OXWJWTTUBFGEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N3O/c26-19-8-5-17(6-9-19)24-22(16-31-11-13-33-14-12-31)32-15-18(7-10-23(32)30-24)20-3-1-2-4-21(20)25(27,28)29/h1-10,15H,11-14,16H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 471.91 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 121309666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).