1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

C22H18F2N6O2 — CID 122305448

About 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (PubChem CID 122305448) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.

Molecular Properties

• Compound Name: 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
• PubChem CID: 122305448
• Molecular Formula: C22H18F2N6O2
• Molecular Weight: 436.42 g/mol
• Exact Mass: 436.15
• IUPAC Name: 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
• SMILES: Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)nn2)n1
• InChI: InChI=1S/C22H18F2N6O2/c1-13-9-14(2)30(29-13)20-7-8-21(28-27-20)32-19-5-3-17(4-6-19)25-22(31)26-18-11-15(23)10-16(24)12-18/h3-12H,1-2H3,(H2,25,26,31)
• InChIKey: SGZGQHORVYACOQ-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.42
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

The IUPAC name of 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (CID 122305448) is 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.

What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

The canonical SMILES for 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)nn2)n1.

What is the InChIKey of 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

The InChIKey is SGZGQHORVYACOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c1-13-9-14(2)30(29-13)20-7-8-21(28-27-20)32-19-5-3-17(4-6-19)25-22(31)26-18-11-15(23)10-16(24)12-18/h3-12H,1-2H3,(H2,25,26,31).

What are the key properties of 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea has a molecular weight of 436.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is sourced from PubChem (CID 122305448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).