1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one

C25H26FNO3 — CID 58190252

IUPAC1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2OCC)cc1
InChIInChI=1S/C25H26FNO3/c1-3-29-23-13-9-19(10-14-23)24-15-11-21(27-25(24)30-4-2)17-22(28)12-8-18-6-5-7-20(26)16-18/h5-7,9-11,13-16H,3-4,8,12,17H2,1-2H3
InChIKeyDFBXSTSDZVXRKF-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.43
Rot. Bonds10

About 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one

1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one (PubChem CID 58190252) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
PubChem CID58190252
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC Name1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2OCC)cc1
InChIInChI=1S/C25H26FNO3/c1-3-29-23-13-9-19(10-14-23)24-15-11-21(27-25(24)30-4-2)17-22(28)12-8-18-6-5-7-20(26)16-18/h5-7,9-11,13-16H,3-4,8,12,17H2,1-2H3
InChIKeyDFBXSTSDZVXRKF-UHFFFAOYSA-N
XLogP5.43
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one 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 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The IUPAC name of 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one (CID 58190252) is 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one.
What is the SMILES notation for 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The canonical SMILES for 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one is CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2OCC)cc1.
What is the InChIKey of 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The InChIKey is DFBXSTSDZVXRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c1-3-29-23-13-9-19(10-14-23)24-15-11-21(27-25(24)30-4-2)17-22(28)12-8-18-6-5-7-20(26)16-18/h5-7,9-11,13-16H,3-4,8,12,17H2,1-2H3.
What are the key properties of 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one has a molecular weight of 407.49 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethoxy-5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one is sourced from PubChem (CID 58190252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).