2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine

C19H17FN6O — CID 118956772

IUPAC2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
SMILESCCOc1cc(-c2c(-c3cc(-c4cn[nH]n4)ccn3)ncn2C)ccc1F
InChIInChI=1S/C19H17FN6O/c1-3-27-17-9-13(4-5-14(17)20)19-18(22-11-26(19)2)15-8-12(6-7-21-15)16-10-23-25-24-16/h4-11H,3H2,1-2H3,(H,23,24,25)
InChIKeyJYWWWRWPSHBPRZ-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.47
Rot. Bonds5

About 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine

2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine (PubChem CID 118956772) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
PubChem CID118956772
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
SMILESCCOc1cc(-c2c(-c3cc(-c4cn[nH]n4)ccn3)ncn2C)ccc1F
InChIInChI=1S/C19H17FN6O/c1-3-27-17-9-13(4-5-14(17)20)19-18(22-11-26(19)2)15-8-12(6-7-21-15)16-10-23-25-24-16/h4-11H,3H2,1-2H3,(H,23,24,25)
InChIKeyJYWWWRWPSHBPRZ-UHFFFAOYSA-N
XLogP3.47
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine 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-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine (CID 118956772) is 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine is CCOc1cc(-c2c(-c3cc(-c4cn[nH]n4)ccn3)ncn2C)ccc1F.
What is the InChIKey of 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
The InChIKey is JYWWWRWPSHBPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-3-27-17-9-13(4-5-14(17)20)19-18(22-11-26(19)2)15-8-12(6-7-21-15)16-10-23-25-24-16/h4-11H,3H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine?
2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine has a molecular weight of 364.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-yl]-4-(2H-triazol-4-yl)pyridine is sourced from PubChem (CID 118956772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).