2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide

C24H24N4O4 — CID 16885900

IUPAC2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)cc1
InChIInChI=1S/C24H24N4O4/c1-4-32-18-8-5-16(6-9-18)13-23(29)26-19-14-17(7-10-21(19)30-2)20-15-28-22(25-20)11-12-24(27-28)31-3/h5-12,14-15H,4,13H2,1-3H3,(H,26,29)
InChIKeyWREQHEWNNGTQIP-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.99
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide

2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide (PubChem CID 16885900) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
PubChem CID16885900
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)cc1
InChIInChI=1S/C24H24N4O4/c1-4-32-18-8-5-16(6-9-18)13-23(29)26-19-14-17(7-10-21(19)30-2)20-15-28-22(25-20)11-12-24(27-28)31-3/h5-12,14-15H,4,13H2,1-3H3,(H,26,29)
InChIKeyWREQHEWNNGTQIP-UHFFFAOYSA-N
XLogP3.99
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide (CID 16885900) is 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide is CCOc1ccc(CC(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
The InChIKey is WREQHEWNNGTQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-32-18-8-5-16(6-9-18)13-23(29)26-19-14-17(7-10-21(19)30-2)20-15-28-22(25-20)11-12-24(27-28)31-3/h5-12,14-15H,4,13H2,1-3H3,(H,26,29).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 16885900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).