N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide

C22H20N4O3S — CID 22581668

IUPACN-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cn3nc(SCC(=O)Nc4ccccc4OC)ccc3n2)cc1
InChIInChI=1S/C22H20N4O3S/c1-28-16-9-7-15(8-10-16)18-13-26-20(23-18)11-12-22(25-26)30-14-21(27)24-17-5-3-4-6-19(17)29-2/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyAHEKNVIAYXCBRF-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.14
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide (PubChem CID 22581668) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
PubChem CID22581668
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cn3nc(SCC(=O)Nc4ccccc4OC)ccc3n2)cc1
InChIInChI=1S/C22H20N4O3S/c1-28-16-9-7-15(8-10-16)18-13-26-20(23-18)11-12-22(25-26)30-14-21(27)24-17-5-3-4-6-19(17)29-2/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyAHEKNVIAYXCBRF-UHFFFAOYSA-N
XLogP4.14
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 43935517
N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581665
N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 71828341
2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 26842760
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383879
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581675
N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
CID 7152126
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
CID 18573837
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 16806730
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
N-(2-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672535
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 16806727

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide (CID 22581668) is N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide is COc1ccc(-c2cn3nc(SCC(=O)Nc4ccccc4OC)ccc3n2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The InChIKey is AHEKNVIAYXCBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-28-16-9-7-15(8-10-16)18-13-26-20(23-18)11-12-22(25-26)30-14-21(27)24-17-5-3-4-6-19(17)29-2/h3-13H,14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide has a molecular weight of 420.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide is sourced from PubChem (CID 22581668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).