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

C19H17ClF3N3O — CID 121309692

IUPAC4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C19H17ClF3N3O/c20-15-4-1-13(2-5-15)18-16(12-25-7-9-27-10-8-25)26-11-14(19(21,22)23)3-6-17(26)24-18/h1-6,11H,7-10,12H2
InChIKeyITQAVPKHWTZPMQ-UHFFFAOYSA-N
MW395.81 g/mol
LogP4.51
Rot. Bonds3

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

4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 121309692) has the molecular formula C19H17ClF3N3O and a molecular weight of 395.81 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
PubChem CID121309692
Molecular FormulaC19H17ClF3N3O
Molecular Weight395.81 g/mol
Exact Mass395.10
IUPAC Name4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESFC(F)(F)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C19H17ClF3N3O/c20-15-4-1-13(2-5-15)18-16(12-25-7-9-27-10-8-25)26-11-14(19(21,22)23)3-6-17(26)24-18/h1-6,11H,7-10,12H2
InChIKeyITQAVPKHWTZPMQ-UHFFFAOYSA-N
XLogP4.51
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 54.51
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-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 121309692) is 4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is FC(F)(F)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is ITQAVPKHWTZPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O/c20-15-4-1-13(2-5-15)18-16(12-25-7-9-27-10-8-25)26-11-14(19(21,22)23)3-6-17(26)24-18/h1-6,11H,7-10,12H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 395.81 g/mol, XLogP of 4.51, 3 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-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 121309692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).