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

C20H14ClN3O — CID 155556179

IUPAC1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccc(Cl)c4)nn23)c1
InChIInChI=1S/C20H14ClN3O/c1-13(25)14-4-2-6-16(10-14)19-12-22-20-9-8-18(23-24(19)20)15-5-3-7-17(21)11-15/h2-12H,1H3
InChIKeyHDQGXGMOUGUYML-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.92
Rot. Bonds3

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

1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (PubChem CID 155556179) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
PubChem CID155556179
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccc(Cl)c4)nn23)c1
InChIInChI=1S/C20H14ClN3O/c1-13(25)14-4-2-6-16(10-14)19-12-22-20-9-8-18(23-24(19)20)15-5-3-7-17(21)11-15/h2-12H,1H3
InChIKeyHDQGXGMOUGUYML-UHFFFAOYSA-N
XLogP4.92
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (CID 155556179) is 1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(Cl)c4)nn23)c1.
What is the InChIKey of 1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The InChIKey is HDQGXGMOUGUYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c1-13(25)14-4-2-6-16(10-14)19-12-22-20-9-8-18(23-24(19)20)15-5-3-7-17(21)11-15/h2-12H,1H3.
What are the key properties of 1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone has a molecular weight of 347.81 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is sourced from PubChem (CID 155556179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).