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

C32H26F2N8O3 — CID 158331487

About 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone

2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone (PubChem CID 158331487) has the molecular formula C32H26F2N8O3 and a molecular weight of 608.61 g/mol. Its IUPAC name is 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone
• PubChem CID: 158331487
• Molecular Formula: C32H26F2N8O3
• Molecular Weight: 608.61 g/mol
• Exact Mass: 608.21
• IUPAC Name: 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone
• SMILES: Cc1cc(C(=O)N2CCC(n3cnc(-c4ccc(F)cc4)c3-c3ccc4nc(CC(=O)c5ccnc(F)c5)cn4n3)CC2)no1
• InChI: InChI=1S/C32H26F2N8O3/c1-19-14-26(39-45-19)32(44)40-12-9-24(10-13-40)41-18-36-30(20-2-4-22(33)5-3-20)31(41)25-6-7-29-37-23(17-42(29)38-25)16-27(43)21-8-11-35-28(34)15-21/h2-8,11,14-15,17-18,24H,9-10,12-13,16H2,1H3
• InChIKey: GQBJPBTYXLFSAS-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 124.31 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.61
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
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-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone?

The IUPAC name of 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone (CID 158331487) is 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone.

What is the SMILES notation for 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone?

The canonical SMILES for 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone is Cc1cc(C(=O)N2CCC(n3cnc(-c4ccc(F)cc4)c3-c3ccc4nc(CC(=O)c5ccnc(F)c5)cn4n3)CC2)no1.

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

The InChIKey is GQBJPBTYXLFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N8O3/c1-19-14-26(39-45-19)32(44)40-12-9-24(10-13-40)41-18-36-30(20-2-4-22(33)5-3-20)31(41)25-6-7-29-37-23(17-42(29)38-25)16-27(43)21-8-11-35-28(34)15-21/h2-8,11,14-15,17-18,24H,9-10,12-13,16H2,1H3.

What are the key properties of 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone?

2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone has a molecular weight of 608.61 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[5-(4-fluorophenyl)-3-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone is sourced from PubChem (CID 158331487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).