6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

C17H17ClF2N4S — CID 46226956

IUPAC6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCl.Fc1ccc(Sc2ccc3nnc(C4CCNCC4)n3c2)c(F)c1
InChIInChI=1S/C17H16F2N4S.ClH/c18-12-1-3-15(14(19)9-12)24-13-2-4-16-21-22-17(23(16)10-13)11-5-7-20-8-6-11;/h1-4,9-11,20H,5-8H2;1H
InChIKeyPUONSVIIVSBKHK-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.05
Rot. Bonds3

About 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 46226956) has the molecular formula C17H17ClF2N4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID46226956
Molecular FormulaC17H17ClF2N4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCl.Fc1ccc(Sc2ccc3nnc(C4CCNCC4)n3c2)c(F)c1
InChIInChI=1S/C17H16F2N4S.ClH/c18-12-1-3-15(14(19)9-12)24-13-2-4-16-21-22-17(23(16)10-13)11-5-7-20-8-6-11;/h1-4,9-11,20H,5-8H2;1H
InChIKeyPUONSVIIVSBKHK-UHFFFAOYSA-N
XLogP4.05
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 46226956) is 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is Cl.Fc1ccc(Sc2ccc3nnc(C4CCNCC4)n3c2)c(F)c1.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is PUONSVIIVSBKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4S.ClH/c18-12-1-3-15(14(19)9-12)24-13-2-4-16-21-22-17(23(16)10-13)11-5-7-20-8-6-11;/h1-4,9-11,20H,5-8H2;1H.
What are the key properties of 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 382.87 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfanyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is sourced from PubChem (CID 46226956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).