2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide

C21H17ClN4O3 — CID 16886026

IUPAC2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)cn2n1
InChIInChI=1S/C21H17ClN4O3/c1-28-21-11-10-19-24-18(12-26(19)25-21)14-2-6-16(7-3-14)23-20(27)13-29-17-8-4-15(22)5-9-17/h2-12H,13H2,1H3,(H,23,27)
InChIKeyRGILRFAJHNLIGE-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.08
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide

2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide (PubChem CID 16886026) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
PubChem CID16886026
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC Name2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)cn2n1
InChIInChI=1S/C21H17ClN4O3/c1-28-21-11-10-19-24-18(12-26(19)25-21)14-2-6-16(7-3-14)23-20(27)13-29-17-8-4-15(22)5-9-17/h2-12H,13H2,1H3,(H,23,27)
InChIKeyRGILRFAJHNLIGE-UHFFFAOYSA-N
XLogP4.08
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide
CID 16885820
N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide
CID 16885989
4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16824926
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-methoxyacetamide
CID 42737495
N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581665
2-(4-ethoxyphenyl)-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
CID 16885900
2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 26842760
2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16886088
2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16824969
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
2-(3,5-dimethoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
CID 43991165
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide (CID 16886026) is 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide is COc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)cn2n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
The InChIKey is RGILRFAJHNLIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-28-21-11-10-19-24-18(12-26(19)25-21)14-2-6-16(7-3-14)23-20(27)13-29-17-8-4-15(22)5-9-17/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide?
2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide has a molecular weight of 408.85 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 16886026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).