3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

C22H20N4O4 — CID 16824857

IUPAC3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(-c3cn4nc(OC)ccc4n3)c2)c1
InChIInChI=1S/C22H20N4O4/c1-28-17-10-15(11-18(12-17)29-2)22(27)23-16-6-4-5-14(9-16)19-13-26-20(24-19)7-8-21(25-26)30-3/h4-13H,1-3H3,(H,23,27)
InChIKeyBWCIWPQYYHEPHV-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.67
Rot. Bonds6

About 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (PubChem CID 16824857) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
PubChem CID16824857
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(-c3cn4nc(OC)ccc4n3)c2)c1
InChIInChI=1S/C22H20N4O4/c1-28-17-10-15(11-18(12-17)29-2)22(27)23-16-6-4-5-14(9-16)19-13-26-20(24-19)7-8-21(25-26)30-3/h4-13H,1-3H3,(H,23,27)
InChIKeyBWCIWPQYYHEPHV-UHFFFAOYSA-N
XLogP3.67
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (CID 16824857) is 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2cccc(-c3cn4nc(OC)ccc4n3)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The InChIKey is BWCIWPQYYHEPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-28-17-10-15(11-18(12-17)29-2)22(27)23-16-6-4-5-14(9-16)19-13-26-20(24-19)7-8-21(25-26)30-3/h4-13H,1-3H3,(H,23,27).
What are the key properties of 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide has a molecular weight of 404.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 16824857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).