5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide

C29H30F2N6O4 — CID 155074326

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (PubChem CID 155074326) has the molecular formula C29H30F2N6O4 and a molecular weight of 564.59 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• PubChem CID: 155074326
• Molecular Formula: C29H30F2N6O4
• Molecular Weight: 564.59 g/mol
• Exact Mass: 564.23
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• SMILES: COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1c(F)cc(F)cc1OCC1CCCC1
• InChI: InChI=1S/C29H30F2N6O4/c1-16-20(24-8-9-27-35-26(34-17(2)38)14-37(27)36-24)12-21(29(33-16)40-3)28(39)32-13-22-23(31)10-19(30)11-25(22)41-15-18-6-4-5-7-18/h8-12,14,18H,4-7,13,15H2,1-3H3,(H,32,39)(H,34,38)
• InChIKey: PHGYKXMMMOLINY-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.59
LogP ≤ 5	4.84
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)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (CID 155074326) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]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)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1c(F)cc(F)cc1OCC1CCCC1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The InChIKey is PHGYKXMMMOLINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O4/c1-16-20(24-8-9-27-35-26(34-17(2)38)14-37(27)36-24)12-21(29(33-16)40-3)28(39)32-13-22-23(31)10-19(30)11-25(22)41-15-18-6-4-5-7-18/h8-12,14,18H,4-7,13,15H2,1-3H3,(H,32,39)(H,34,38).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide has a molecular weight of 564.59 g/mol, XLogP of 4.84, 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)-4,6-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).