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

C26H19F2N9O — CID 118538759

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

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538759) has the molecular formula C26H19F2N9O and a molecular weight of 511.50 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]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-(1H-imidazol-5-yl)ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118538759
• Molecular Formula: C26H19F2N9O
• Molecular Weight: 511.50 g/mol
• Exact Mass: 511.17
• IUPAC Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCc3cnc[nH]3)ccc2n1)c1ccnc(F)c1
• InChI: InChI=1S/C26H19F2N9O/c27-18-3-1-16(2-4-18)24-25(36(15-32-24)10-8-19-12-29-14-31-19)20-5-6-23-33-22(13-37(23)35-20)34-26(38)17-7-9-30-21(28)11-17/h1-7,9,11-15H,8,10H2,(H,29,31)(H,34,38)
• InChIKey: DLBVGYMXAHHBFU-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 118.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.50
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(1H-imidazol-5-yl)ethyl]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-(1H-imidazol-5-yl)ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538759) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]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-(1H-imidazol-5-yl)ethyl]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-(1H-imidazol-5-yl)ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CCc3cnc[nH]3)ccc2n1)c1ccnc(F)c1.

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

The InChIKey is DLBVGYMXAHHBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N9O/c27-18-3-1-16(2-4-18)24-25(36(15-32-24)10-8-19-12-29-14-31-19)20-5-6-23-33-22(13-37(23)35-20)34-26(38)17-7-9-30-21(28)11-17/h1-7,9,11-15H,8,10H2,(H,29,31)(H,34,38).

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

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 511.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).