2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

C25H25N5O4 — CID 122305937

About 2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (PubChem CID 122305937) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
• PubChem CID: 122305937
• Molecular Formula: C25H25N5O4
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.19
• IUPAC Name: 2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
• SMILES: COc1ccc(OCC(=O)Nc2ccc(Oc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1
• InChI: InChI=1S/C25H25N5O4/c1-16-17(2)29-30(18(16)3)23-13-14-25(28-27-23)34-22-7-5-19(6-8-22)26-24(31)15-33-21-11-9-20(32-4)10-12-21/h5-14H,15H2,1-4H3,(H,26,31)
• InChIKey: VUKKXGDDWXYMPZ-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 100.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (CID 122305937) is 2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.

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

The canonical SMILES for 2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is COc1ccc(OCC(=O)Nc2ccc(Oc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1.

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

The InChIKey is VUKKXGDDWXYMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-16-17(2)29-30(18(16)3)23-13-14-25(28-27-23)34-22-7-5-19(6-8-22)26-24(31)15-33-21-11-9-20(32-4)10-12-21/h5-14H,15H2,1-4H3,(H,26,31).

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

2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide has a molecular weight of 459.51 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is sourced from PubChem (CID 122305937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).