4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine

C24H17N3OS — CID 141190438

IUPAC4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine
SMILESc1ccc(Sc2c(-c3ccccn3)ncc(-c3ccc[nH]3)c2-c2ccco2)cc1
InChIInChI=1S/C24H17N3OS/c1-2-8-17(9-3-1)29-24-22(21-12-7-15-28-21)18(19-11-6-14-25-19)16-27-23(24)20-10-4-5-13-26-20/h1-16,25H
InChIKeyPFKGHRCYJPVVEF-UHFFFAOYSA-N
MW395.49 g/mol
LogP6.55
Rot. Bonds5

About 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine

4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine (PubChem CID 141190438) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine
PubChem CID141190438
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC Name4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine
SMILESc1ccc(Sc2c(-c3ccccn3)ncc(-c3ccc[nH]3)c2-c2ccco2)cc1
InChIInChI=1S/C24H17N3OS/c1-2-8-17(9-3-1)29-24-22(21-12-7-15-28-21)18(19-11-6-14-25-19)16-27-23(24)20-10-4-5-13-26-20/h1-16,25H
InChIKeyPFKGHRCYJPVVEF-UHFFFAOYSA-N
XLogP6.55
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-[3-[4-[4-fluoro-2-(furan-3-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552707
4-(2-Furan-3-yl-5-phenyl-1H-pyrrol-3-yl)-pyridine
CID 44324117
4-[2-Furan-3-yl-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399577
4-[2-Furan-2-yl-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399650
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
CID 46229631
3-[furan-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 11370382
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine?
The IUPAC name of 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine (CID 141190438) is 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine is c1ccc(Sc2c(-c3ccccn3)ncc(-c3ccc[nH]3)c2-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine?
The InChIKey is PFKGHRCYJPVVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c1-2-8-17(9-3-1)29-24-22(21-12-7-15-28-21)18(19-11-6-14-25-19)16-27-23(24)20-10-4-5-13-26-20/h1-16,25H.
What are the key properties of 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine?
4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine has a molecular weight of 395.49 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-phenylsulfanyl-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 141190438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).