2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine

C16H12N4OS — CID 45497465

IUPAC2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1coc(-c2ccc(SCc3cn4ccccc4n3)nn2)c1
InChIInChI=1S/C16H12N4OS/c1-2-8-20-10-12(17-15(20)5-1)11-22-16-7-6-13(18-19-16)14-4-3-9-21-14/h1-10H,11H2
InChIKeyFCSIJILYWMIRHA-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.68
Rot. Bonds4

About 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine

2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 45497465) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID45497465
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1coc(-c2ccc(SCc3cn4ccccc4n3)nn2)c1
InChIInChI=1S/C16H12N4OS/c1-2-8-20-10-12(17-15(20)5-1)11-22-16-7-6-13(18-19-16)14-4-3-9-21-14/h1-10H,11H2
InChIKeyFCSIJILYWMIRHA-UHFFFAOYSA-N
XLogP3.68
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine (CID 45497465) is 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine is c1coc(-c2ccc(SCc3cn4ccccc4n3)nn2)c1.
What is the InChIKey of 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is FCSIJILYWMIRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-2-8-20-10-12(17-15(20)5-1)11-22-16-7-6-13(18-19-16)14-4-3-9-21-14/h1-10H,11H2.
What are the key properties of 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 308.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(furan-2-yl)pyridazin-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 45497465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).