[2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone

C25H23N5O4 — CID 78321691

About [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone

[2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 78321691) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
• PubChem CID: 78321691
• Molecular Formula: C25H23N5O4
• Molecular Weight: 457.49 g/mol
• Exact Mass: 457.18
• IUPAC Name: [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
• SMILES: Cc1nocc1C(=O)N1CCCC1CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
• InChI: InChI=1S/C25H23N5O4/c1-16-19(15-33-28-16)25(31)29-11-4-6-18(29)10-12-32-24-9-8-23-26-14-20(30(23)27-24)22-13-17-5-2-3-7-21(17)34-22/h2-3,5,7-9,13-15,18H,4,6,10-12H2,1H3
• InChIKey: YLODHUFFFHZBES-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 98.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.49
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?

The IUPAC name of [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone (CID 78321691) is [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone.

What is the SMILES notation for [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?

The canonical SMILES for [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone is Cc1nocc1C(=O)N1CCCC1CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1.

What is the InChIKey of [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?

The InChIKey is YLODHUFFFHZBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-16-19(15-33-28-16)25(31)29-11-4-6-18(29)10-12-32-24-9-8-23-26-14-20(30(23)27-24)22-13-17-5-2-3-7-21(17)34-22/h2-3,5,7-9,13-15,18H,4,6,10-12H2,1H3.

What are the key properties of [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?

[2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 457.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 78321691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).