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

C31H26F2N10O2 — CID 118538666

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

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538666) has the molecular formula C31H26F2N10O2 and a molecular weight of 608.61 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]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-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118538666
• Molecular Formula: C31H26F2N10O2
• Molecular Weight: 608.61 g/mol
• Exact Mass: 608.22
• IUPAC Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: Cn1ccc(C(=O)N2CCC(n3cnc(-c4ccc(F)cc4)c3-c3ccc4nc(NC(=O)c5ccnc(F)c5)cn4n3)CC2)n1
• InChI: InChI=1S/C31H26F2N10O2/c1-40-13-11-24(38-40)31(45)41-14-9-22(10-15-41)42-18-35-28(19-2-4-21(32)5-3-19)29(42)23-6-7-27-36-26(17-43(27)39-23)37-30(44)20-8-12-34-25(33)16-20/h2-8,11-13,16-18,22H,9-10,14-15H2,1H3,(H,37,44)
• InChIKey: OTSIECLODUVQDH-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 128.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.61
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]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-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538666) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]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-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]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-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is Cn1ccc(C(=O)N2CCC(n3cnc(-c4ccc(F)cc4)c3-c3ccc4nc(NC(=O)c5ccnc(F)c5)cn4n3)CC2)n1.

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

The InChIKey is OTSIECLODUVQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N10O2/c1-40-13-11-24(38-40)31(45)41-14-9-22(10-15-41)42-18-35-28(19-2-4-21(32)5-3-19)29(42)23-6-7-27-36-26(17-43(27)39-23)37-30(44)20-8-12-34-25(33)16-20/h2-8,11-13,16-18,22H,9-10,14-15H2,1H3,(H,37,44).

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

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 608.61 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1-methylpyrazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).