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

C25H21F2N3O3 — CID 18324485

IUPAC2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid
SMILESCn1cncc1CC(OCc1ccc(C(=O)O)c(-c2ccc(F)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C25H21F2N3O3/c1-30-15-28-13-21(30)12-23(16-2-6-18(26)7-3-16)33-14-20-10-11-22(25(31)32)24(29-20)17-4-8-19(27)9-5-17/h2-11,13,15,23H,12,14H2,1H3,(H,31,32)
InChIKeyJZAPSKLPBSWRTH-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.96
Rot. Bonds8

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

2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid (PubChem CID 18324485) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid
PubChem CID18324485
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid
SMILESCn1cncc1CC(OCc1ccc(C(=O)O)c(-c2ccc(F)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C25H21F2N3O3/c1-30-15-28-13-21(30)12-23(16-2-6-18(26)7-3-16)33-14-20-10-11-22(25(31)32)24(29-20)17-4-8-19(27)9-5-17/h2-11,13,15,23H,12,14H2,1H3,(H,31,32)
InChIKeyJZAPSKLPBSWRTH-UHFFFAOYSA-N
XLogP4.96
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid (CID 18324485) is 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid is Cn1cncc1CC(OCc1ccc(C(=O)O)c(-c2ccc(F)cc2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid?
The InChIKey is JZAPSKLPBSWRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c1-30-15-28-13-21(30)12-23(16-2-6-18(26)7-3-16)33-14-20-10-11-22(25(31)32)24(29-20)17-4-8-19(27)9-5-17/h2-11,13,15,23H,12,14H2,1H3,(H,31,32).
What are the key properties of 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid?
2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid has a molecular weight of 449.46 g/mol, XLogP of 4.96, 8 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-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 18324485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).