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

C26H22F2N8O — CID 90246087

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

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 90246087) has the molecular formula C26H22F2N8O and a molecular weight of 500.51 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 90246087
• Molecular Formula: C26H22F2N8O
• Molecular Weight: 500.51 g/mol
• Exact Mass: 500.19
• IUPAC Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccc2n1)c1ccnc(F)c1
• InChI: InChI=1S/C26H22F2N8O/c27-18-3-1-16(2-4-18)24-25(35(15-31-24)19-8-10-29-11-9-19)20-5-6-23-32-22(14-36(23)34-20)33-26(37)17-7-12-30-21(28)13-17/h1-7,12-15,19,29H,8-11H2,(H,33,37)
• InChIKey: IPPLZBANPLRABR-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 102.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.51
LogP ≤ 5	4.11
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-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 90246087) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-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-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccc2n1)c1ccnc(F)c1.

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

The InChIKey is IPPLZBANPLRABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N8O/c27-18-3-1-16(2-4-18)24-25(35(15-31-24)19-8-10-29-11-9-19)20-5-6-23-32-22(14-36(23)34-20)33-26(37)17-7-12-30-21(28)13-17/h1-7,12-15,19,29H,8-11H2,(H,33,37).

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

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 500.51 g/mol, XLogP of 4.11, 5 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-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 90246087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).