1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea

C24H24N6O5 — CID 122305340

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

1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 122305340) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is 1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
• PubChem CID: 122305340
• Molecular Formula: C24H24N6O5
• Molecular Weight: 476.49 g/mol
• Exact Mass: 476.18
• IUPAC Name: 1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
• SMILES: COc1cc(NC(=O)Nc2ccc(Oc3ccc(-n4ccc(C)n4)nn3)cc2)cc(OC)c1OC
• InChI: InChI=1S/C24H24N6O5/c1-15-11-12-30(29-15)21-9-10-22(28-27-21)35-18-7-5-16(6-8-18)25-24(31)26-17-13-19(32-2)23(34-4)20(14-17)33-3/h5-14H,1-4H3,(H2,25,26,31)
• InChIKey: NHOZLIPHXLIBPM-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 121.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.49
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 122305340) is 1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea.

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

The canonical SMILES for 1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(Oc3ccc(-n4ccc(C)n4)nn3)cc2)cc(OC)c1OC.

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

The InChIKey is NHOZLIPHXLIBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5/c1-15-11-12-30(29-15)21-9-10-22(28-27-21)35-18-7-5-16(6-8-18)25-24(31)26-17-13-19(32-2)23(34-4)20(14-17)33-3/h5-14H,1-4H3,(H2,25,26,31).

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

1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 476.49 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 122305340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).