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

C26H23F2N3O3 — CID 18324462

IUPACmethyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COC(Cc2cncn2C)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H23F2N3O3/c1-31-16-29-14-22(31)13-24(17-3-7-19(27)8-4-17)34-15-21-11-12-23(26(32)33-2)25(30-21)18-5-9-20(28)10-6-18/h3-12,14,16,24H,13,15H2,1-2H3
InChIKeyCWPTVBXNYGSLNW-UHFFFAOYSA-N
MW463.48 g/mol
LogP5.05
Rot. Bonds8

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

methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate (PubChem CID 18324462) has the molecular formula C26H23F2N3O3 and a molecular weight of 463.48 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate
PubChem CID18324462
Molecular FormulaC26H23F2N3O3
Molecular Weight463.48 g/mol
Exact Mass463.17
IUPAC Namemethyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COC(Cc2cncn2C)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H23F2N3O3/c1-31-16-29-14-22(31)13-24(17-3-7-19(27)8-4-17)34-15-21-11-12-23(26(32)33-2)25(30-21)18-5-9-20(28)10-6-18/h3-12,14,16,24H,13,15H2,1-2H3
InChIKeyCWPTVBXNYGSLNW-UHFFFAOYSA-N
XLogP5.05
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.48
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate (CID 18324462) is methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(COC(Cc2cncn2C)c2ccc(F)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate?
The InChIKey is CWPTVBXNYGSLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3/c1-31-16-29-14-22(31)13-24(17-3-7-19(27)8-4-17)34-15-21-11-12-23(26(32)33-2)25(30-21)18-5-9-20(28)10-6-18/h3-12,14,16,24H,13,15H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate?
methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate has a molecular weight of 463.48 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-6-[[1-(4-fluorophenyl)-2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 18324462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).