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

C₃₁H₂₅F₂N₉O₃ — CID 118547783

About 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(3-methyl-1,2-oxazole-4-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-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118547783) has the molecular formula C₃₁H₂₅F₂N₉O₃ and a molecular weight of 609.60 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(3-methyl-1,2-oxazole-4-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-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118547783
• Molecular Formula: C₃₁H₂₅F₂N₉O₃
• Molecular Weight: 609.60 g/mol
• Exact Mass: 609.20
• IUPAC Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: Cc1nocc1C(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)CC1
• InChI: InChI=1S/C31H25F2N9O3/c1-18-23(16-45-39-18)31(44)40-12-9-22(10-13-40)41-17-35-28(19-2-4-21(32)5-3-19)29(41)24-6-7-27-36-26(15-42(27)38-24)37-30(43)20-8-11-34-25(33)14-20/h2-8,11,14-17,22H,9-10,12-13H2,1H3,(H,37,43)
• InChIKey: YHBNTGANAXKWMT-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 136.34 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	609.60
LogP ≤ 5	4.96
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-(3-methyl-1,2-oxazole-4-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-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118547783) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(3-methyl-1,2-oxazole-4-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-(3-methyl-1,2-oxazole-4-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-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is Cc1nocc1C(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)CC1.

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

The InChIKey is YHBNTGANAXKWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N9O3/c1-18-23(16-45-39-18)31(44)40-12-9-22(10-13-40)41-17-35-28(19-2-4-21(32)5-3-19)29(41)24-6-7-27-36-26(15-42(27)38-24)37-30(43)20-8-11-34-25(33)14-20/h2-8,11,14-17,22H,9-10,12-13H2,1H3,(H,37,43).

What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(3-methyl-1,2-oxazole-4-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-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 609.60 g/mol, XLogP of 4.96, 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-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118547783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118547783 — identifiers, structure, computed properties (public domain)

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