4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine

C23H21FN2OS — CID 118911861

IUPAC4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine
SMILESFc1ccc(-c2sc(C#CCCN3CCOCC3)cc2-c2ccncc2)cc1
InChIInChI=1S/C23H21FN2OS/c24-20-6-4-19(5-7-20)23-22(18-8-10-25-11-9-18)17-21(28-23)3-1-2-12-26-13-15-27-16-14-26/h4-11,17H,2,12-16H2
InChIKeyQWXFBJYEVQHTCD-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.69
Rot. Bonds4

About 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine

4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine (PubChem CID 118911861) has the molecular formula C23H21FN2OS and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine
PubChem CID118911861
Molecular FormulaC23H21FN2OS
Molecular Weight392.50 g/mol
Exact Mass392.14
IUPAC Name4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine
SMILESFc1ccc(-c2sc(C#CCCN3CCOCC3)cc2-c2ccncc2)cc1
InChIInChI=1S/C23H21FN2OS/c24-20-6-4-19(5-7-20)23-22(18-8-10-25-11-9-18)17-21(28-23)3-1-2-12-26-13-15-27-16-14-26/h4-11,17H,2,12-16H2
InChIKeyQWXFBJYEVQHTCD-UHFFFAOYSA-N
XLogP4.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Cyp17-IN-1
CID 137635843
6-fluoro-2-[(4-propan-2-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137638281
6-fluoro-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137658689
6-fluoro-2-[(4-prop-1-en-2-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137659776
4-[2-(4-Fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-thiophen-3-yl]-pyridine
CID 44399342
2-(1-Benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-4-yl-1,3-thiazole
CID 162664148
2-(1-Benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole
CID 162676326
6-fluoro-2-[(4-phenyl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137634990
6-fluoro-2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137655257
4-[2-(4-Fluorophenyl)thiophen-3-yl]pyridine
CID 21988488
4-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol
CID 118903730
4-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol
CID 118903742

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine?
The IUPAC name of 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine (CID 118911861) is 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine.
What is the SMILES notation for 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine?
The canonical SMILES for 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine is Fc1ccc(-c2sc(C#CCCN3CCOCC3)cc2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine?
The InChIKey is QWXFBJYEVQHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2OS/c24-20-6-4-19(5-7-20)23-22(18-8-10-25-11-9-18)17-21(28-23)3-1-2-12-26-13-15-27-16-14-26/h4-11,17H,2,12-16H2.
What are the key properties of 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine?
4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine has a molecular weight of 392.50 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-ynyl]morpholine is sourced from PubChem (CID 118911861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).