4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine

C25H23FN4S — CID 15872410

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Sc3ccccc3)c2)cc1
InChIInChI=1S/C25H23FN4S/c26-20-8-6-18(7-9-20)24-25(30(17-29-24)21-11-13-27-14-12-21)19-10-15-28-23(16-19)31-22-4-2-1-3-5-22/h1-10,15-17,21,27H,11-14H2
InChIKeyFYCFWIRJLIPVEB-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.83
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine (PubChem CID 15872410) has the molecular formula C25H23FN4S and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine
PubChem CID15872410
Molecular FormulaC25H23FN4S
Molecular Weight430.55 g/mol
Exact Mass430.16
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Sc3ccccc3)c2)cc1
InChIInChI=1S/C25H23FN4S/c26-20-8-6-18(7-9-20)24-25(30(17-29-24)21-11-13-27-14-12-21)19-10-15-28-23(16-19)31-22-4-2-1-3-5-22/h1-10,15-17,21,27H,11-14H2
InChIKeyFYCFWIRJLIPVEB-UHFFFAOYSA-N
XLogP5.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine (CID 15872410) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Sc3ccccc3)c2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine?
The InChIKey is FYCFWIRJLIPVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4S/c26-20-8-6-18(7-9-20)24-25(30(17-29-24)21-11-13-27-14-12-21)19-10-15-28-23(16-19)31-22-4-2-1-3-5-22/h1-10,15-17,21,27H,11-14H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine has a molecular weight of 430.55 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine is sourced from PubChem (CID 15872410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).