1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

C21H16F2N6O2 — CID 122306656

About 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (PubChem CID 122306656) has the molecular formula C21H16F2N6O2 and a molecular weight of 422.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
• PubChem CID: 122306656
• Molecular Formula: C21H16F2N6O2
• Molecular Weight: 422.40 g/mol
• Exact Mass: 422.13
• IUPAC Name: 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
• SMILES: Cc1nccn1-c1ccc(Oc2ccc(NC(=O)Nc3c(F)cccc3F)cc2)nn1
• InChI: InChI=1S/C21H16F2N6O2/c1-13-24-11-12-29(13)18-9-10-19(28-27-18)31-15-7-5-14(6-8-15)25-21(30)26-20-16(22)3-2-4-17(20)23/h2-12H,1H3,(H2,25,26,30)
• InChIKey: ZDNIZSCHDYYBIJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.40
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

The IUPAC name of 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (CID 122306656) is 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.

What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

The canonical SMILES for 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is Cc1nccn1-c1ccc(Oc2ccc(NC(=O)Nc3c(F)cccc3F)cc2)nn1.

What is the InChIKey of 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

The InChIKey is ZDNIZSCHDYYBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O2/c1-13-24-11-12-29(13)18-9-10-19(28-27-18)31-15-7-5-14(6-8-15)25-21(30)26-20-16(22)3-2-4-17(20)23/h2-12H,1H3,(H2,25,26,30).

What are the key properties of 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea has a molecular weight of 422.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is sourced from PubChem (CID 122306656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).