N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C₃₂H₃₀F₂N₈O₂ — CID 118547768

About N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118547768) has the molecular formula C₃₂H₃₀F₂N₈O₂ and a molecular weight of 596.64 g/mol. Its IUPAC name is N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
• PubChem CID: 118547768
• Molecular Formula: C₃₂H₃₀F₂N₈O₂
• Molecular Weight: 596.64 g/mol
• Exact Mass: 596.25
• IUPAC Name: N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
• SMILES: CC1(C)CC1C(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)CC1
• InChI: InChI=1S/C32H30F2N8O2/c1-32(2)16-23(32)31(44)40-13-10-22(11-14-40)41-18-36-28(19-3-5-21(33)6-4-19)29(41)24-7-8-27-37-26(17-42(27)39-24)38-30(43)20-9-12-35-25(34)15-20/h3-9,12,15,17-18,22-23H,10-11,13-14,16H2,1-2H3,(H,38,43)
• InChIKey: ZFYSBQADNSTPLY-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 110.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.64
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
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 N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The IUPAC name of N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118547768) is N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

What is the SMILES notation for N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The canonical SMILES for N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is CC1(C)CC1C(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)CC1.

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

The InChIKey is ZFYSBQADNSTPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N8O2/c1-32(2)16-23(32)31(44)40-13-10-22(11-14-40)41-18-36-28(19-3-5-21(33)6-4-19)29(41)24-7-8-27-37-26(17-42(27)39-24)38-30(43)20-9-12-35-25(34)15-20/h3-9,12,15,17-18,22-23H,10-11,13-14,16H2,1-2H3,(H,38,43).

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

N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 596.64 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-[1-(2,2-dimethylcyclopropanecarbonyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118547768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118547768 — identifiers, structure, computed properties (public domain)

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