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

C26H23F2N3O3 — CID 70131208

IUPACmethyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(OCCc2cncn2C)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H23F2N3O3/c1-31-16-29-15-21(31)13-14-34-25(18-5-9-20(28)10-6-18)23-12-11-22(26(32)33-2)24(30-23)17-3-7-19(27)8-4-17/h3-12,15-16,25H,13-14H2,1-2H3
InChIKeyANUBMRZBJQJOFD-UHFFFAOYSA-N
MW463.48 g/mol
LogP4.90
Rot. Bonds8

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

methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate (PubChem CID 70131208) has the molecular formula C26H23F2N3O3 and a molecular weight of 463.48 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate
PubChem CID70131208
Molecular FormulaC26H23F2N3O3
Molecular Weight463.48 g/mol
Exact Mass463.17
IUPAC Namemethyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(OCCc2cncn2C)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H23F2N3O3/c1-31-16-29-15-21(31)13-14-34-25(18-5-9-20(28)10-6-18)23-12-11-22(26(32)33-2)24(30-23)17-3-7-19(27)8-4-17/h3-12,15-16,25H,13-14H2,1-2H3
InChIKeyANUBMRZBJQJOFD-UHFFFAOYSA-N
XLogP4.90
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate (CID 70131208) is methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(OCCc2cncn2C)c2ccc(F)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate?
The InChIKey is ANUBMRZBJQJOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3/c1-31-16-29-15-21(31)13-14-34-25(18-5-9-20(28)10-6-18)23-12-11-22(26(32)33-2)24(30-23)17-3-7-19(27)8-4-17/h3-12,15-16,25H,13-14H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate?
methyl 2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate has a molecular weight of 463.48 g/mol, XLogP of 4.90, 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-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 70131208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).