2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine

C27H20F3N3O2 — CID 23025908

IUPAC2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C27H20F3N3O2/c1-34-23-9-5-8-20(14-23)26-32-25-24(15-21(16-31-25)19-6-3-2-4-7-19)33(26)17-18-10-12-22(13-11-18)35-27(28,29)30/h2-16H,17H2,1H3
InChIKeySAQPLBRUFYEYBH-UHFFFAOYSA-N
MW475.47 g/mol
LogP6.72
Rot. Bonds6

About 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine

2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 23025908) has the molecular formula C27H20F3N3O2 and a molecular weight of 475.47 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID23025908
Molecular FormulaC27H20F3N3O2
Molecular Weight475.47 g/mol
Exact Mass475.15
IUPAC Name2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C27H20F3N3O2/c1-34-23-9-5-8-20(14-23)26-32-25-24(15-21(16-31-25)19-6-3-2-4-7-19)33(26)17-18-10-12-22(13-11-18)35-27(28,29)30/h2-16H,17H2,1H3
InChIKeySAQPLBRUFYEYBH-UHFFFAOYSA-N
XLogP6.72
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Metodesnitazene
CID 26412
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine (CID 23025908) is 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine is COc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2Cc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is SAQPLBRUFYEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3O2/c1-34-23-9-5-8-20(14-23)26-32-25-24(15-21(16-31-25)19-6-3-2-4-7-19)33(26)17-18-10-12-22(13-11-18)35-27(28,29)30/h2-16H,17H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine?
2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 475.47 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).