2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid

C23H17F2N3O3 — CID 18324425

IUPAC2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC(Cn2ccnc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2N3O3/c24-17-5-1-15(2-6-17)20(13-28-12-11-26-14-28)31-21-10-9-19(23(29)30)22(27-21)16-3-7-18(25)8-4-16/h1-12,14,20H,13H2,(H,29,30)
InChIKeyWXZFEKOAZBUCDT-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.74
Rot. Bonds7

About 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid

2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid (PubChem CID 18324425) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid
PubChem CID18324425
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC Name2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC(Cn2ccnc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2N3O3/c24-17-5-1-15(2-6-17)20(13-28-12-11-26-14-28)31-21-10-9-19(23(29)30)22(27-21)16-3-7-18(25)8-4-16/h1-12,14,20H,13H2,(H,29,30)
InChIKeyWXZFEKOAZBUCDT-UHFFFAOYSA-N
XLogP4.74
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-((Imidazo(1,2-a)pyridin-2-yl)methoxy)benzoic acid
CID 1278630
3-[[6-[(5-Fluoro-3-methyl-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46908818
3-[[6-[(3-Fluoro-5-methyl-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46908904
2-[5-(4-Methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407809
2-[5-[4-(Cyclopropylmethoxy)phenyl]-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407841
3-[[6-[(5-Fluoro-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 145949449
3-[[6-[(3-Fluoro-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 145956984
US10273222, Example 94
CID 86269287
US10273222, Example 95
CID 86269288
US10273222, Example 123
CID 90407165
US10273222, Example 14
CID 90407279
US10273222, Example 13
CID 90407339

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid (CID 18324425) is 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid is O=C(O)c1ccc(OC(Cn2ccnc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid?
The InChIKey is WXZFEKOAZBUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c24-17-5-1-15(2-6-17)20(13-28-12-11-26-14-28)31-21-10-9-19(23(29)30)22(27-21)16-3-7-18(25)8-4-16/h1-12,14,20H,13H2,(H,29,30).
What are the key properties of 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid?
2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid has a molecular weight of 421.40 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 18324425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).