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

C23H14F5N7O — CID 118545283

About 2-fluoro-N-[6-[5-(4-fluorophenyl)-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)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118545283) has the molecular formula C23H14F5N7O and a molecular weight of 499.40 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-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)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118545283
• Molecular Formula: C23H14F5N7O
• Molecular Weight: 499.40 g/mol
• Exact Mass: 499.12
• IUPAC Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CC(F)(F)F)ccc2n1)c1ccnc(F)c1
• InChI: InChI=1S/C23H14F5N7O/c24-15-3-1-13(2-4-15)20-21(34(12-30-20)11-23(26,27)28)16-5-6-19-31-18(10-35(19)33-16)32-22(36)14-7-8-29-17(25)9-14/h1-10,12H,11H2,(H,32,36)
• InChIKey: SJYHDZNKOFJXJK-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.40
LogP ≤ 5	4.75
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)-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)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118545283) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-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)-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)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CC(F)(F)F)ccc2n1)c1ccnc(F)c1.

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

The InChIKey is SJYHDZNKOFJXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F5N7O/c24-15-3-1-13(2-4-15)20-21(34(12-30-20)11-23(26,27)28)16-5-6-19-31-18(10-35(19)33-16)32-22(36)14-7-8-29-17(25)9-14/h1-10,12H,11H2,(H,32,36).

What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-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)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 499.40 g/mol, XLogP of 4.75, 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)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118545283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).