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

C24H16F5N7O — CID 118538636

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

2-fluoro-N-[6-[5-(4-fluorophenyl)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538636) has the molecular formula C24H16F5N7O and a molecular weight of 513.43 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118538636
• Molecular Formula: C24H16F5N7O
• Molecular Weight: 513.43 g/mol
• Exact Mass: 513.13
• IUPAC Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CC(F)(F)F
• InChI: InChI=1S/C24H16F5N7O/c1-13-31-21(14-2-4-16(25)5-3-14)22(35(13)12-24(27,28)29)17-6-7-20-32-19(11-36(20)34-17)33-23(37)15-8-9-30-18(26)10-15/h2-11H,12H2,1H3,(H,33,37)
• InChIKey: KYMSRBQEDZPYKL-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.43
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538636) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-2-methyl-3-(2,2,2-trifluoroethyl)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)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-fluoro-N-[6-[5-(4-fluorophenyl)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CC(F)(F)F.

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

The InChIKey is KYMSRBQEDZPYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F5N7O/c1-13-31-21(14-2-4-16(25)5-3-14)22(35(13)12-24(27,28)29)17-6-7-20-32-19(11-36(20)34-17)33-23(37)15-8-9-30-18(26)10-15/h2-11H,12H2,1H3,(H,33,37).

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

2-fluoro-N-[6-[5-(4-fluorophenyl)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 513.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).