2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide

C24H25N7O4S — CID 122292415

About 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide

2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide (PubChem CID 122292415) has the molecular formula C24H25N7O4S and a molecular weight of 507.58 g/mol. Its IUPAC name is 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide.

Molecular Properties

• Compound Name: 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide
• PubChem CID: 122292415
• Molecular Formula: C24H25N7O4S
• Molecular Weight: 507.58 g/mol
• Exact Mass: 507.17
• IUPAC Name: 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide
• SMILES: COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1C(N)=O
• InChI: InChI=1S/C24H25N7O4S/c1-14-15(2)29-31(16(14)3)23-12-11-22(27-28-23)26-17-5-7-18(8-6-17)30-36(33,34)19-9-10-21(35-4)20(13-19)24(25)32/h5-13,30H,1-4H3,(H2,25,32)(H,26,27)
• InChIKey: DGNQXFCOOQVJAL-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 154.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.58
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide?

The IUPAC name of 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide (CID 122292415) is 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide.

What is the SMILES notation for 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide?

The canonical SMILES for 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1C(N)=O.

What is the InChIKey of 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide?

The InChIKey is DGNQXFCOOQVJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4S/c1-14-15(2)29-31(16(14)3)23-12-11-22(27-28-23)26-17-5-7-18(8-6-17)30-36(33,34)19-9-10-21(35-4)20(13-19)24(25)32/h5-13,30H,1-4H3,(H2,25,32)(H,26,27).

What are the key properties of 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide?

2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide has a molecular weight of 507.58 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 122292415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).