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

C18H18N4O5S — CID 71534710

IUPAC4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
SMILESCOc1nccc2oc(-c3cnc4ccc(OCCCS(C)(=O)=O)nn34)cc12
InChIInChI=1S/C18H18N4O5S/c1-25-18-12-10-15(27-14(12)6-7-19-18)13-11-20-16-4-5-17(21-22(13)16)26-8-3-9-28(2,23)24/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyRBFQIOHPMCPMFR-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.36
Rot. Bonds7

About 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine

4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine (PubChem CID 71534710) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
PubChem CID71534710
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Name4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
SMILESCOc1nccc2oc(-c3cnc4ccc(OCCCS(C)(=O)=O)nn34)cc12
InChIInChI=1S/C18H18N4O5S/c1-25-18-12-10-15(27-14(12)6-7-19-18)13-11-20-16-4-5-17(21-22(13)16)26-8-3-9-28(2,23)24/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyRBFQIOHPMCPMFR-UHFFFAOYSA-N
XLogP2.36
TPSA108.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
The IUPAC name of 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine (CID 71534710) is 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
The canonical SMILES for 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine is COc1nccc2oc(-c3cnc4ccc(OCCCS(C)(=O)=O)nn34)cc12.
What is the InChIKey of 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
The InChIKey is RBFQIOHPMCPMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-25-18-12-10-15(27-14(12)6-7-19-18)13-11-20-16-4-5-17(21-22(13)16)26-8-3-9-28(2,23)24/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine has a molecular weight of 402.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine is sourced from PubChem (CID 71534710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).