5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide

C30H34N6O4 — CID 155074196

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (PubChem CID 155074196) has the molecular formula C30H34N6O4 and a molecular weight of 542.64 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• PubChem CID: 155074196
• Molecular Formula: C30H34N6O4
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.26
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• SMILES: COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OC(C)C1CCCC1
• InChI: InChI=1S/C30H34N6O4/c1-18-23(25-13-14-28-34-27(33-20(3)37)17-36(28)35-25)15-24(30(32-18)39-4)29(38)31-16-22-11-7-8-12-26(22)40-19(2)21-9-5-6-10-21/h7-8,11-15,17,19,21H,5-6,9-10,16H2,1-4H3,(H,31,38)(H,33,37)
• InChIKey: QNGRZTWTIAECIB-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (CID 155074196) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OC(C)C1CCCC1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The InChIKey is QNGRZTWTIAECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O4/c1-18-23(25-13-14-28-34-27(33-20(3)37)17-36(28)35-25)15-24(30(32-18)39-4)29(38)31-16-22-11-7-8-12-26(22)40-19(2)21-9-5-6-10-21/h7-8,11-15,17,19,21H,5-6,9-10,16H2,1-4H3,(H,31,38)(H,33,37).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(1-cyclopentylethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).