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

C24H20ClF2N3O — CID 121309694

IUPAC4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESFc1cccc(F)c1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C24H20ClF2N3O/c25-18-7-4-16(5-8-18)24-21(15-29-10-12-31-13-11-29)30-14-17(6-9-22(30)28-24)23-19(26)2-1-3-20(23)27/h1-9,14H,10-13,15H2
InChIKeyAWLSCRCZNBSDKA-UHFFFAOYSA-N
MW439.89 g/mol
LogP5.43
Rot. Bonds4

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

4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 121309694) has the molecular formula C24H20ClF2N3O and a molecular weight of 439.89 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
PubChem CID121309694
Molecular FormulaC24H20ClF2N3O
Molecular Weight439.89 g/mol
Exact Mass439.13
IUPAC Name4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESFc1cccc(F)c1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C24H20ClF2N3O/c25-18-7-4-16(5-8-18)24-21(15-29-10-12-31-13-11-29)30-14-17(6-9-22(30)28-24)23-19(26)2-1-3-20(23)27/h1-9,14H,10-13,15H2
InChIKeyAWLSCRCZNBSDKA-UHFFFAOYSA-N
XLogP5.43
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.89
LogP ≤ 55.43
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-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 121309694) is 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is Fc1cccc(F)c1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is AWLSCRCZNBSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O/c25-18-7-4-16(5-8-18)24-21(15-29-10-12-31-13-11-29)30-14-17(6-9-22(30)28-24)23-19(26)2-1-3-20(23)27/h1-9,14H,10-13,15H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 439.89 g/mol, XLogP of 5.43, 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-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 121309694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).