2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

C22H18FN5O3 — CID 122306698

IUPAC2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)COc3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C22H18FN5O3/c1-15-24-12-13-28(15)20-10-11-22(27-26-20)31-19-8-4-17(5-9-19)25-21(29)14-30-18-6-2-16(23)3-7-18/h2-13H,14H2,1H3,(H,25,29)
InChIKeyRWFXBPNJBBJQIM-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.92
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (PubChem CID 122306698) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
PubChem CID122306698
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Name2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)COc3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C22H18FN5O3/c1-15-24-12-13-28(15)20-10-11-22(27-26-20)31-19-8-4-17(5-9-19)25-21(29)14-30-18-6-2-16(23)3-7-18/h2-13H,14H2,1H3,(H,25,29)
InChIKeyRWFXBPNJBBJQIM-UHFFFAOYSA-N
XLogP3.92
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 122306694
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
CID 122306729
2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306741
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122306736
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methylphenyl)acetamide
CID 122306699
1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306656
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide
CID 122312789
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (CID 122306698) is 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is Cc1nccn1-c1ccc(Oc2ccc(NC(=O)COc3ccc(F)cc3)cc2)nn1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
The InChIKey is RWFXBPNJBBJQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-15-24-12-13-28(15)20-10-11-22(27-26-20)31-19-8-4-17(5-9-19)25-21(29)14-30-18-6-2-16(23)3-7-18/h2-13H,14H2,1H3,(H,25,29).
What are the key properties of 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide has a molecular weight of 419.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is sourced from PubChem (CID 122306698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).