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

C29H32N6O4 — CID 155074331

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (PubChem CID 155074331) has the molecular formula C29H32N6O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• PubChem CID: 155074331
• Molecular Formula: C29H32N6O4
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.25
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• SMILES: COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OCC1CCCC1
• InChI: InChI=1S/C29H32N6O4/c1-18-22(24-12-13-27-33-26(32-19(2)36)16-35(27)34-24)14-23(29(31-18)38-3)28(37)30-15-21-10-6-7-11-25(21)39-17-20-8-4-5-9-20/h6-7,10-14,16,20H,4-5,8-9,15,17H2,1-3H3,(H,30,37)(H,32,36)
• InChIKey: JBMONVNKRNIRHO-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	4.57
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-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (CID 155074331) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)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-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OCC1CCCC1.

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

The InChIKey is JBMONVNKRNIRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4/c1-18-22(24-12-13-27-33-26(32-19(2)36)16-35(27)34-24)14-23(29(31-18)38-3)28(37)30-15-21-10-6-7-11-25(21)39-17-20-8-4-5-9-20/h6-7,10-14,16,20H,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-methoxy-6-methylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide has a molecular weight of 528.61 g/mol, XLogP of 4.57, 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-(cyclopentylmethoxy)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).