N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C24H20F3N5O2 — CID 122307152

About N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 122307152) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 122307152
• Molecular Formula: C24H20F3N5O2
• Molecular Weight: 467.45 g/mol
• Exact Mass: 467.16
• IUPAC Name: N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: Cc1ncn(-c2ccc(Oc3ccc(NC(=O)Cc4cccc(C(F)(F)F)c4)cc3)nn2)c1C
• InChI: InChI=1S/C24H20F3N5O2/c1-15-16(2)32(14-28-15)21-10-11-23(31-30-21)34-20-8-6-19(7-9-20)29-22(33)13-17-4-3-5-18(12-17)24(25,26)27/h3-12,14H,13H2,1-2H3,(H,29,33)
• InChIKey: CIZNESLZENSEMN-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.45
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 122307152) is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1ncn(-c2ccc(Oc3ccc(NC(=O)Cc4cccc(C(F)(F)F)c4)cc3)nn2)c1C.

What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is CIZNESLZENSEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-15-16(2)32(14-28-15)21-10-11-23(31-30-21)34-20-8-6-19(7-9-20)29-22(33)13-17-4-3-5-18(12-17)24(25,26)27/h3-12,14H,13H2,1-2H3,(H,29,33).

What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 467.45 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122307152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).