5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

C29H32N6O3 — CID 155074136

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 155074136) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• PubChem CID: 155074136
• Molecular Formula: C29H32N6O3
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.25
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4ccccc4OCC4CCCC4)c(C)nc3C)ccc2n1
• InChI: InChI=1S/C29H32N6O3/c1-18-23(25-12-13-28-33-27(32-20(3)36)16-35(28)34-25)14-24(19(2)31-18)29(37)30-15-22-10-6-7-11-26(22)38-17-21-8-4-5-9-21/h6-7,10-14,16,21H,4-5,8-9,15,17H2,1-3H3,(H,30,37)(H,32,36)
• InChIKey: DZKBRVGRGCGKJQ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (CID 155074136) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

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

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4ccccc4OCC4CCCC4)c(C)nc3C)ccc2n1.

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

The InChIKey is DZKBRVGRGCGKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3/c1-18-23(25-12-13-28-33-27(32-20(3)36)16-35(28)34-25)14-24(19(2)31-18)29(37)30-15-22-10-6-7-11-26(22)38-17-21-8-4-5-9-21/h6-7,10-14,16,21H,4-5,8-9,15,17H2,1-3H3,(H,30,37)(H,32,36).

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 155074136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).