1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one

C19H16FNO2S — CID 118903740

IUPAC1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one
SMILESO=C(CCCO)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO2S/c20-15-5-3-14(4-6-15)19-16(13-7-9-21-10-8-13)12-18(24-19)17(23)2-1-11-22/h3-10,12,22H,1-2,11H2
InChIKeyPSTQSFSWGIZGFA-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.57
Rot. Bonds6

About 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one

1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one (PubChem CID 118903740) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one
PubChem CID118903740
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one
SMILESO=C(CCCO)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO2S/c20-15-5-3-14(4-6-15)19-16(13-7-9-21-10-8-13)12-18(24-19)17(23)2-1-11-22/h3-10,12,22H,1-2,11H2
InChIKeyPSTQSFSWGIZGFA-UHFFFAOYSA-N
XLogP4.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-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-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one (CID 118903740) is 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one is O=C(CCCO)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one?
The InChIKey is PSTQSFSWGIZGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-15-5-3-14(4-6-15)19-16(13-7-9-21-10-8-13)12-18(24-19)17(23)2-1-11-22/h3-10,12,22H,1-2,11H2.
What are the key properties of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one?
1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one has a molecular weight of 341.41 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-4-hydroxybutan-1-one is sourced from PubChem (CID 118903740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).