4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile

C22H13FN2OS3 — CID 1070002

IUPAC4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC(=O)c1cccs1
InChIInChI=1S/C22H13FN2OS3/c23-15-7-5-14(6-8-15)16-11-18(20-3-1-9-27-20)25-22(17(16)12-24)29-13-19(26)21-4-2-10-28-21/h1-11H,13H2
InChIKeyPCUUBMDHVSPNLY-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.52
Rot. Bonds6

About 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile

4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 1070002) has the molecular formula C22H13FN2OS3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID1070002
Molecular FormulaC22H13FN2OS3
Molecular Weight436.56 g/mol
Exact Mass436.02
IUPAC Name4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC(=O)c1cccs1
InChIInChI=1S/C22H13FN2OS3/c23-15-7-5-14(6-8-15)16-11-18(20-3-1-9-27-20)25-22(17(16)12-24)29-13-19(26)21-4-2-10-28-21/h1-11H,13H2
InChIKeyPCUUBMDHVSPNLY-UHFFFAOYSA-N
XLogP6.52
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile 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 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile (CID 1070002) is 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC(=O)c1cccs1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is PCUUBMDHVSPNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN2OS3/c23-15-7-5-14(6-8-15)16-11-18(20-3-1-9-27-20)25-22(17(16)12-24)29-13-19(26)21-4-2-10-28-21/h1-11H,13H2.
What are the key properties of 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 436.56 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 1070002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).