1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

C24H22N6O4 — CID 122305466

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (PubChem CID 122305466) has the molecular formula C24H22N6O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
• PubChem CID: 122305466
• Molecular Formula: C24H22N6O4
• Molecular Weight: 458.48 g/mol
• Exact Mass: 458.17
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
• SMILES: Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)Nc4ccc5c(c4)OCCO5)cc3)nn2)n1
• InChI: InChI=1S/C24H22N6O4/c1-15-13-16(2)30(29-15)22-9-10-23(28-27-22)34-19-6-3-17(4-7-19)25-24(31)26-18-5-8-20-21(14-18)33-12-11-32-20/h3-10,13-14H,11-12H2,1-2H3,(H2,25,26,31)
• InChIKey: SMMVHIMJUOWFOS-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 112.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.48
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (CID 122305466) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)Nc4ccc5c(c4)OCCO5)cc3)nn2)n1.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

The InChIKey is SMMVHIMJUOWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4/c1-15-13-16(2)30(29-15)22-9-10-23(28-27-22)34-19-6-3-17(4-7-19)25-24(31)26-18-5-8-20-21(14-18)33-12-11-32-20/h3-10,13-14H,11-12H2,1-2H3,(H2,25,26,31).

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea has a molecular weight of 458.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is sourced from PubChem (CID 122305466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).