[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium

C23H20FN2S+ — CID 160716030

IUPAC[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium
SMILESC[S+](C)c1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1
InChIInChI=1S/C23H20FN2S/c1-27(2)20-9-5-17(6-10-20)22-15-21(16-11-13-25-14-12-16)23(26-22)18-3-7-19(24)8-4-18/h3-14H,15H2,1-2H3/q+1
InChIKeyZPJHYKFISPYFAN-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.22
Rot. Bonds4

About [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium

[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium (PubChem CID 160716030) has the molecular formula C23H20FN2S+ and a molecular weight of 375.49 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium.

Molecular Properties

Compound Name[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium
PubChem CID160716030
Molecular FormulaC23H20FN2S+
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium
SMILESC[S+](C)c1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1
InChIInChI=1S/C23H20FN2S/c1-27(2)20-9-5-17(6-10-20)22-15-21(16-11-13-25-14-12-16)23(26-22)18-3-7-19(24)8-4-18/h3-14H,15H2,1-2H3/q+1
InChIKeyZPJHYKFISPYFAN-UHFFFAOYSA-N
XLogP5.22
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-2-(4-methylphenyl)-5-pyridin-4-yl-1,3-oxazole;tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[5-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)-3H-pyrrol-4-yl]pyridine
CID 161112235
2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine
CID 158954454
5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-pyridin-2-one
CID 148508782
tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[2-[4-(2-methylpropyl)phenyl]-5-phenyl-3H-pyrrol-4-yl]pyridine;5-[2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-3H-pyrrol-5-yl]-2,1,3-benzoxadiazole
CID 159820079
4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine
CID 162041288
4-[5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 20723828
2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid
CID 149359278
5-[2-(4-fluorophenyl)-5-(3-fluoro-4-pyridinyl)-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
CID 160630541
3-(4-fluorophenyl)-4-pyridin-4-yl-2H-furan-5-one
CID 22557516
7-(4-fluorophenyl)-6-pyridin-4-yl-5H-cyclopenta[b]pyridine
CID 71000609
5-[2-(2-fluoro-4-methylphenyl)-5-pyridin-4-yl-3H-pyrrol-4-yl]-3-methoxypyridin-2-amine
CID 158117138
5-bromo-2-(4-fluorophenyl)-4-methyl-3H-indole
CID 146872025

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium?
The IUPAC name of [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium (CID 160716030) is [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium.
What is the SMILES notation for [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium?
The canonical SMILES for [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium is C[S+](C)c1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)cc1.
What is the InChIKey of [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium?
The InChIKey is ZPJHYKFISPYFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN2S/c1-27(2)20-9-5-17(6-10-20)22-15-21(16-11-13-25-14-12-16)23(26-22)18-3-7-19(24)8-4-18/h3-14H,15H2,1-2H3/q+1.
What are the key properties of [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium?
[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium has a molecular weight of 375.49 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium is sourced from PubChem (CID 160716030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).