6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one

C22H22N4O3 — CID 144686366

About 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one

6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one (PubChem CID 144686366) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one.

Molecular Properties

• Compound Name: 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
• PubChem CID: 144686366
• Molecular Formula: C22H22N4O3
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.17
• IUPAC Name: 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
• SMILES: O=C1CCCC(CCCOc2ccc3ncc(-c4cc5ccccc5o4)n3n2)N1
• InChI: InChI=1S/C22H22N4O3/c27-21-9-3-6-16(24-21)7-4-12-28-22-11-10-20-23-14-17(26(20)25-22)19-13-15-5-1-2-8-18(15)29-19/h1-2,5,8,10-11,13-14,16H,3-4,6-7,9,12H2,(H,24,27)
• InChIKey: LDTMTIFORIIWOV-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 81.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one?

The IUPAC name of 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one (CID 144686366) is 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one.

What is the SMILES notation for 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one?

The canonical SMILES for 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one is O=C1CCCC(CCCOc2ccc3ncc(-c4cc5ccccc5o4)n3n2)N1.

What is the InChIKey of 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one?

The InChIKey is LDTMTIFORIIWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21-9-3-6-16(24-21)7-4-12-28-22-11-10-20-23-14-17(26(20)25-22)19-13-15-5-1-2-8-18(15)29-19/h1-2,5,8,10-11,13-14,16H,3-4,6-7,9,12H2,(H,24,27).

What are the key properties of 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one?

6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one has a molecular weight of 390.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one is sourced from PubChem (CID 144686366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).