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

C21H24N4O2S — CID 22581682

IUPACN-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cn3nc(SCC(=O)NC4CCCCC4)ccc3n2)cc1
InChIInChI=1S/C21H24N4O2S/c1-27-17-9-7-15(8-10-17)18-13-25-19(23-18)11-12-21(24-25)28-14-20(26)22-16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,22,26)
InChIKeyQLONEGXVYSYWTL-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.95
Rot. Bonds6

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

N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide (PubChem CID 22581682) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
PubChem CID22581682
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cn3nc(SCC(=O)NC4CCCCC4)ccc3n2)cc1
InChIInChI=1S/C21H24N4O2S/c1-27-17-9-7-15(8-10-17)18-13-25-19(23-18)11-12-21(24-25)28-14-20(26)22-16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,22,26)
InChIKeyQLONEGXVYSYWTL-UHFFFAOYSA-N
XLogP3.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide (CID 22581682) is N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide is COc1ccc(-c2cn3nc(SCC(=O)NC4CCCCC4)ccc3n2)cc1.
What is the InChIKey of N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The InChIKey is QLONEGXVYSYWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-27-17-9-7-15(8-10-17)18-13-25-19(23-18)11-12-21(24-25)28-14-20(26)22-16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,22,26).
What are the key properties of N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide has a molecular weight of 396.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide is sourced from PubChem (CID 22581682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).