2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C24H20F2N8O3S — CID 118545285

About 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118545285) has the molecular formula C24H20F2N8O3S and a molecular weight of 538.54 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118545285
• Molecular Formula: C24H20F2N8O3S
• Molecular Weight: 538.54 g/mol
• Exact Mass: 538.13
• IUPAC Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: NS(=O)(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
• InChI: InChI=1S/C24H20F2N8O3S/c25-17-4-2-15(3-5-17)22-23(33(14-29-22)10-1-11-38(27,36)37)18-6-7-21-30-20(13-34(21)32-18)31-24(35)16-8-9-28-19(26)12-16/h2-9,12-14H,1,10-11H2,(H,31,35)(H2,27,36,37)
• InChIKey: DLWWZFRYBVBHCO-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 150.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.54
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118545285) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is NS(=O)(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1.

What is the InChIKey of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The InChIKey is DLWWZFRYBVBHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N8O3S/c25-17-4-2-15(3-5-17)22-23(33(14-29-22)10-1-11-38(27,36)37)18-6-7-21-30-20(13-34(21)32-18)31-24(35)16-8-9-28-19(26)12-16/h2-9,12-14H,1,10-11H2,(H,31,35)(H2,27,36,37).

What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 538.54 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(3-sulfamoylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118545285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).