N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide

C24H21N5O4 — CID 122305790

About N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 122305790) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 122305790
• Molecular Formula: C24H21N5O4
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.16
• IUPAC Name: N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide
• SMILES: Cc1nn(-c2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nn2)c(C)c1C
• InChI: InChI=1S/C24H21N5O4/c1-14-15(2)28-29(16(14)3)22-10-11-23(27-26-22)33-19-7-5-18(6-8-19)25-24(30)17-4-9-20-21(12-17)32-13-31-20/h4-12H,13H2,1-3H3,(H,25,30)
• InChIKey: URDONHGOKPGXDH-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 100.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide (CID 122305790) is N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide.

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

The canonical SMILES for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide is Cc1nn(-c2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nn2)c(C)c1C.

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

The InChIKey is URDONHGOKPGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-14-15(2)28-29(16(14)3)22-10-11-23(27-26-22)33-19-7-5-18(6-8-19)25-24(30)17-4-9-20-21(12-17)32-13-31-20/h4-12H,13H2,1-3H3,(H,25,30).

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

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 122305790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).