N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide

C23H19N5O3 — CID 78322307

About N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide

N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide (PubChem CID 78322307) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide
• PubChem CID: 78322307
• Molecular Formula: C23H19N5O3
• Molecular Weight: 413.44 g/mol
• Exact Mass: 413.15
• IUPAC Name: N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide
• SMILES: CC(=O)NC[C@H](Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cccnc1
• InChI: InChI=1S/C23H19N5O3/c1-15(29)25-14-21(17-6-4-10-24-12-17)31-23-9-8-22-26-13-18(28(22)27-23)20-11-16-5-2-3-7-19(16)30-20/h2-13,21H,14H2,1H3,(H,25,29)/t21-/m0/s1
• InChIKey: MESJYBSJRRMTHR-NRFANRHFSA-N
• XLogP: 3.79
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.44
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide?

The IUPAC name of N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide (CID 78322307) is N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide.

What is the SMILES notation for N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide?

The canonical SMILES for N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide is CC(=O)NC[C@H](Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cccnc1.

What is the InChIKey of N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide?

The InChIKey is MESJYBSJRRMTHR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-15(29)25-14-21(17-6-4-10-24-12-17)31-23-9-8-22-26-13-18(28(22)27-23)20-11-16-5-2-3-7-19(16)30-20/h2-13,21H,14H2,1H3,(H,25,29)/t21-/m0/s1.

What are the key properties of N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide?

N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide has a molecular weight of 413.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 78322307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).