3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide

C25H29N7O4 — CID 54588282

About 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide

3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 54588282) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 54588282
• Molecular Formula: C25H29N7O4
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.23
• IUPAC Name: 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
• SMILES: COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)NCCN3CCCCC3)n2)c1
• InChI: InChI=1S/C25H29N7O4/c1-34-12-13-35-20-15-18(21-17-32-22(28-21)6-5-7-27-32)14-19(16-20)23-29-25(36-30-23)24(33)26-8-11-31-9-3-2-4-10-31/h5-7,14-17H,2-4,8-13H2,1H3,(H,26,33)
• InChIKey: LLDYORLKJITJQW-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 119.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 54588282) is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide is COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)NCCN3CCCCC3)n2)c1.

What is the InChIKey of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is LLDYORLKJITJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4/c1-34-12-13-35-20-15-18(21-17-32-22(28-21)6-5-7-27-32)14-19(16-20)23-29-25(36-30-23)24(33)26-8-11-31-9-3-2-4-10-31/h5-7,14-17H,2-4,8-13H2,1H3,(H,26,33).

What are the key properties of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide?

3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 491.55 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 54588282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).