N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide

C21H16Cl2N4O2S — CID 22581665

IUPACN-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cn3nc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)ccc3n2)cc1
InChIInChI=1S/C21H16Cl2N4O2S/c1-29-15-5-2-13(3-6-15)18-11-27-19(25-18)8-9-21(26-27)30-12-20(28)24-14-4-7-16(22)17(23)10-14/h2-11H,12H2,1H3,(H,24,28)
InChIKeyZUDRSNFOIFWTIP-UHFFFAOYSA-N
MW459.36 g/mol
LogP5.44
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide

N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide (PubChem CID 22581665) has the molecular formula C21H16Cl2N4O2S and a molecular weight of 459.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
PubChem CID22581665
Molecular FormulaC21H16Cl2N4O2S
Molecular Weight459.36 g/mol
Exact Mass458.04
IUPAC NameN-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cn3nc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)ccc3n2)cc1
InChIInChI=1S/C21H16Cl2N4O2S/c1-29-15-5-2-13(3-6-15)18-11-27-19(25-18)8-9-21(26-27)30-12-20(28)24-14-4-7-16(22)17(23)10-14/h2-11H,12H2,1H3,(H,24,28)
InChIKeyZUDRSNFOIFWTIP-UHFFFAOYSA-N
XLogP5.44
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.36
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581675
2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 26842760
N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581668
N-(3-chloro-4-methylphenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 16815122
N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 71828990
N-(3,4-dichlorophenyl)-2-[[3-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 43957544
2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
CID 16886026
N-(3-chlorophenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 16815118
N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
N-(3-chloro-4-methoxyphenyl)-2-[[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]sulfanyl]acetamide
CID 45499672
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
CID 18573837
N-(3-chloro-4-methylphenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 18554198

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide (CID 22581665) is N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide is COc1ccc(-c2cn3nc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)ccc3n2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The InChIKey is ZUDRSNFOIFWTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2S/c1-29-15-5-2-13(3-6-15)18-11-27-19(25-18)8-9-21(26-27)30-12-20(28)24-14-4-7-16(22)17(23)10-14/h2-11H,12H2,1H3,(H,24,28).
What are the key properties of N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide has a molecular weight of 459.36 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide is sourced from PubChem (CID 22581665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).