2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid

C25H21F2N3O3 — CID 70296860

IUPAC2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid
SMILESCc1ncc(CCOC(c2ccc(F)cc2)c2ccc(C(=O)O)c(-c3ccc(F)cc3)n2)[nH]1
InChIInChI=1S/C25H21F2N3O3/c1-15-28-14-20(29-15)12-13-33-24(17-4-8-19(27)9-5-17)22-11-10-21(25(31)32)23(30-22)16-2-6-18(26)7-3-16/h2-11,14,24H,12-13H2,1H3,(H,28,29)(H,31,32)
InChIKeyUOBZHGFYPXSHFV-UHFFFAOYSA-N
MW449.46 g/mol
LogP5.11
Rot. Bonds8

About 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid

2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid (PubChem CID 70296860) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid
PubChem CID70296860
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid
SMILESCc1ncc(CCOC(c2ccc(F)cc2)c2ccc(C(=O)O)c(-c3ccc(F)cc3)n2)[nH]1
InChIInChI=1S/C25H21F2N3O3/c1-15-28-14-20(29-15)12-13-33-24(17-4-8-19(27)9-5-17)22-11-10-21(25(31)32)23(30-22)16-2-6-18(26)7-3-16/h2-11,14,24H,12-13H2,1H3,(H,28,29)(H,31,32)
InChIKeyUOBZHGFYPXSHFV-UHFFFAOYSA-N
XLogP5.11
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.46
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Methyl 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]-benzoate
CID 10133915
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
Methyl 6-[[[4-cyano-3-[2-(trifluoromethyl)phenyl]phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]pyridine-3-carboxylate
CID 44391918
4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-benzoic acid methyl ester
CID 10665884
Methyl 2-(3-fluoroanilino)-1-(2-hydroxy-2-pyridin-2-ylethyl)benzimidazole-5-carboxylate
CID 44532660
4-[4-(4-Fluorophenyl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 9863630
Ethyl 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoate
CID 10134800
US10865384, Example 2m
CID 118303558
US10865384, Example 2k
CID 118303566
4-[[(3R)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56775884
4-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56775986
4-[[(3R,4S)-3-fluoro-4-(1H-imidazo[4,5-b]pyridin-2-ylmethoxy)pyrrolidin-1-yl]methyl]benzoic acid
CID 75410554

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid (CID 70296860) is 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid is Cc1ncc(CCOC(c2ccc(F)cc2)c2ccc(C(=O)O)c(-c3ccc(F)cc3)n2)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid?
The InChIKey is UOBZHGFYPXSHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c1-15-28-14-20(29-15)12-13-33-24(17-4-8-19(27)9-5-17)22-11-10-21(25(31)32)23(30-22)16-2-6-18(26)7-3-16/h2-11,14,24H,12-13H2,1H3,(H,28,29)(H,31,32).
What are the key properties of 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid?
2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid has a molecular weight of 449.46 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 70296860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).