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

C26H26ClN3O2 — CID 91635527

IUPAC4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESCCOc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCOCC4)n3c2)c1
InChIInChI=1S/C26H26ClN3O2/c1-2-32-23-5-3-4-20(16-23)21-8-11-25-28-26(19-6-9-22(27)10-7-19)24(30(25)17-21)18-29-12-14-31-15-13-29/h3-11,16-17H,2,12-15,18H2,1H3
InChIKeyFZCCBIFAKAVJIQ-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.55
Rot. Bonds6

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

4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 91635527) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
PubChem CID91635527
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESCCOc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCOCC4)n3c2)c1
InChIInChI=1S/C26H26ClN3O2/c1-2-32-23-5-3-4-20(16-23)21-8-11-25-28-26(19-6-9-22(27)10-7-19)24(30(25)17-21)18-29-12-14-31-15-13-29/h3-11,16-17H,2,12-15,18H2,1H3
InChIKeyFZCCBIFAKAVJIQ-UHFFFAOYSA-N
XLogP5.55
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 91635527) is 4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is CCOc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCOCC4)n3c2)c1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is FZCCBIFAKAVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-2-32-23-5-3-4-20(16-23)21-8-11-25-28-26(19-6-9-22(27)10-7-19)24(30(25)17-21)18-29-12-14-31-15-13-29/h3-11,16-17H,2,12-15,18H2,1H3.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 447.97 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 91635527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).