1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone

C18H13N3O2 — CID 126673046

IUPAC1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4ccoc4)nn23)c1
InChIInChI=1S/C18H13N3O2/c1-12(22)13-3-2-4-14(9-13)17-10-19-18-6-5-16(20-21(17)18)15-7-8-23-11-15/h2-11H,1H3
InChIKeyKHFSJCNMXOIRDB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.86
Rot. Bonds3

About 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone

1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (PubChem CID 126673046) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
PubChem CID126673046
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4ccoc4)nn23)c1
InChIInChI=1S/C18H13N3O2/c1-12(22)13-3-2-4-14(9-13)17-10-19-18-6-5-16(20-21(17)18)15-7-8-23-11-15/h2-11H,1H3
InChIKeyKHFSJCNMXOIRDB-UHFFFAOYSA-N
XLogP3.86
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (CID 126673046) is 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnc3ccc(-c4ccoc4)nn23)c1.
What is the InChIKey of 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The InChIKey is KHFSJCNMXOIRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-12(22)13-3-2-4-14(9-13)17-10-19-18-6-5-16(20-21(17)18)15-7-8-23-11-15/h2-11H,1H3.
What are the key properties of 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone has a molecular weight of 303.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is sourced from PubChem (CID 126673046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).