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

C21H17N3O2 — CID 126673145

IUPAC1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCOc1ccccc1-c1ccc2ncc(-c3cccc(C(C)=O)c3)n2n1
InChIInChI=1S/C21H17N3O2/c1-14(25)15-6-5-7-16(12-15)19-13-22-21-11-10-18(23-24(19)21)17-8-3-4-9-20(17)26-2/h3-13H,1-2H3
InChIKeyWLCAQWIUSXUJLF-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.27
Rot. Bonds4

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

1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (PubChem CID 126673145) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
PubChem CID126673145
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
SMILESCOc1ccccc1-c1ccc2ncc(-c3cccc(C(C)=O)c3)n2n1
InChIInChI=1S/C21H17N3O2/c1-14(25)15-6-5-7-16(12-15)19-13-22-21-11-10-18(23-24(19)21)17-8-3-4-9-20(17)26-2/h3-13H,1-2H3
InChIKeyWLCAQWIUSXUJLF-UHFFFAOYSA-N
XLogP4.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone (CID 126673145) is 1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is COc1ccccc1-c1ccc2ncc(-c3cccc(C(C)=O)c3)n2n1.
What is the InChIKey of 1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
The InChIKey is WLCAQWIUSXUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14(25)15-6-5-7-16(12-15)19-13-22-21-11-10-18(23-24(19)21)17-8-3-4-9-20(17)26-2/h3-13H,1-2H3.
What are the key properties of 1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone?
1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone has a molecular weight of 343.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone is sourced from PubChem (CID 126673145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).