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

C21H17FN4O2S — CID 22581657

IUPACN-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cn3nc(SCC(=O)Nc4cccc(F)c4)ccc3n2)cc1
InChIInChI=1S/C21H17FN4O2S/c1-28-17-7-5-14(6-8-17)18-12-26-19(24-18)9-10-21(25-26)29-13-20(27)23-16-4-2-3-15(22)11-16/h2-12H,13H2,1H3,(H,23,27)
InChIKeyLHPOSPLLVTXPPV-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.27
Rot. Bonds6

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

N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide (PubChem CID 22581657) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
PubChem CID22581657
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC NameN-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cn3nc(SCC(=O)Nc4cccc(F)c4)ccc3n2)cc1
InChIInChI=1S/C21H17FN4O2S/c1-28-17-7-5-14(6-8-17)18-12-26-19(24-18)9-10-21(25-26)29-13-20(27)23-16-4-2-3-15(22)11-16/h2-12H,13H2,1H3,(H,23,27)
InChIKeyLHPOSPLLVTXPPV-UHFFFAOYSA-N
XLogP4.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide (CID 22581657) is N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide is COc1ccc(-c2cn3nc(SCC(=O)Nc4cccc(F)c4)ccc3n2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
The InChIKey is LHPOSPLLVTXPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-28-17-7-5-14(6-8-17)18-12-26-19(24-18)9-10-21(25-26)29-13-20(27)23-16-4-2-3-15(22)11-16/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide?
N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide has a molecular weight of 408.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide is sourced from PubChem (CID 22581657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).