1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine

C57H45F3N4O3 — CID 162251344

IUPAC1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine
SMILESCC(=O)c1ccc(OCc2cccc(-c3ccc4nc(-c5ccc(C)cc5)cn4c3)c2)cc1.Cc1ccc(-c2cn3cc(-c4cccc(COc5ccc(C(F)(F)F)cc5)c4)ccc3n2)cc1
InChIInChI=1S/C29H24N2O2.C28H21F3N2O/c1-20-6-8-24(9-7-20)28-18-31-17-26(12-15-29(31)30-28)25-5-3-4-22(16-25)19-33-27-13-10-23(11-14-27)21(2)32;1-19-5-7-21(8-6-19)26-17-33-16-23(9-14-27(33)32-26)22-4-2-3-20(15-22)18-34-25-12-10-24(11-13-25)28(29,30)31/h3-18H,19H2,1-2H3;2-17H,18H2,1H3
InChIKeyZYANTTOKFDWNGJ-UHFFFAOYSA-N
MW891.01 g/mol
LogP14.33
Rot. Bonds11

About 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine

1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 162251344) has the molecular formula C57H45F3N4O3 and a molecular weight of 891.01 g/mol. Its IUPAC name is 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine
PubChem CID162251344
Molecular FormulaC57H45F3N4O3
Molecular Weight891.01 g/mol
Exact Mass890.34
IUPAC Name1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine
SMILESCC(=O)c1ccc(OCc2cccc(-c3ccc4nc(-c5ccc(C)cc5)cn4c3)c2)cc1.Cc1ccc(-c2cn3cc(-c4cccc(COc5ccc(C(F)(F)F)cc5)c4)ccc3n2)cc1
InChIInChI=1S/C29H24N2O2.C28H21F3N2O/c1-20-6-8-24(9-7-20)28-18-31-17-26(12-15-29(31)30-28)25-5-3-4-22(16-25)19-33-27-13-10-23(11-14-27)21(2)32;1-19-5-7-21(8-6-19)26-17-33-16-23(9-14-27(33)32-26)22-4-2-3-20(15-22)18-34-25-12-10-24(11-13-25)28(29,30)31/h3-18H,19H2,1-2H3;2-17H,18H2,1H3
InChIKeyZYANTTOKFDWNGJ-UHFFFAOYSA-N
XLogP14.33
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.01
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
(4-Methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone
CID 46948375
[4-[[3-(4-Fluorooxan-4-yl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
CID 59326827
N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 44536079
5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
[4-[3-(Dibutylamino)propoxy]phenyl]-(8-methylimidazo[1,2-a]pyridin-3-yl)methanone;hydrochloride
CID 49860436
(1-Methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone
CID 118725366
[4-[[3-(4-Methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
CID 118725367
(1-Methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
CID 118725368
7-(Furan-2-yl)-3-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 118733894

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine (CID 162251344) is 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine is CC(=O)c1ccc(OCc2cccc(-c3ccc4nc(-c5ccc(C)cc5)cn4c3)c2)cc1.Cc1ccc(-c2cn3cc(-c4cccc(COc5ccc(C(F)(F)F)cc5)c4)ccc3n2)cc1.
What is the InChIKey of 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is ZYANTTOKFDWNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2.C28H21F3N2O/c1-20-6-8-24(9-7-20)28-18-31-17-26(12-15-29(31)30-28)25-5-3-4-22(16-25)19-33-27-13-10-23(11-14-27)21(2)32;1-19-5-7-21(8-6-19)26-17-33-16-23(9-14-27(33)32-26)22-4-2-3-20(15-22)18-34-25-12-10-24(11-13-25)28(29,30)31/h3-18H,19H2,1-2H3;2-17H,18H2,1H3.
What are the key properties of 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine?
1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 891.01 g/mol, XLogP of 14.33, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methoxy]phenyl]ethanone;2-(4-methylphenyl)-6-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 162251344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).