2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine

C17H16N4O4S — CID 71538951

IUPAC2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
SMILESCS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cnccc4o3)n2n1
InChIInChI=1S/C17H16N4O4S/c1-26(22,23)8-2-7-24-17-4-3-16-19-11-13(21(16)20-17)15-9-12-10-18-6-5-14(12)25-15/h3-6,9-11H,2,7-8H2,1H3
InChIKeyNIFVMRGIOHOGKD-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.35
Rot. Bonds6

About 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine

2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine (PubChem CID 71538951) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
PubChem CID71538951
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
SMILESCS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cnccc4o3)n2n1
InChIInChI=1S/C17H16N4O4S/c1-26(22,23)8-2-7-24-17-4-3-16-19-11-13(21(16)20-17)15-9-12-10-18-6-5-14(12)25-15/h3-6,9-11H,2,7-8H2,1H3
InChIKeyNIFVMRGIOHOGKD-UHFFFAOYSA-N
XLogP2.35
TPSA99.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
The IUPAC name of 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine (CID 71538951) is 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine.
What is the SMILES notation for 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
The canonical SMILES for 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine is CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cnccc4o3)n2n1.
What is the InChIKey of 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
The InChIKey is NIFVMRGIOHOGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-26(22,23)8-2-7-24-17-4-3-16-19-11-13(21(16)20-17)15-9-12-10-18-6-5-14(12)25-15/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine has a molecular weight of 372.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine is sourced from PubChem (CID 71538951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).