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

C30H32F2N6O4 — CID 155074277

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (PubChem CID 155074277) has the molecular formula C30H32F2N6O4 and a molecular weight of 578.62 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• PubChem CID: 155074277
• Molecular Formula: C30H32F2N6O4
• Molecular Weight: 578.62 g/mol
• Exact Mass: 578.25
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
• SMILES: COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OCC1CCC(F)(F)CC1
• InChI: InChI=1S/C30H32F2N6O4/c1-18-22(24-8-9-27-36-26(35-19(2)39)16-38(27)37-24)14-23(29(34-18)41-3)28(40)33-15-21-6-4-5-7-25(21)42-17-20-10-12-30(31,32)13-11-20/h4-9,14,16,20H,10-13,15,17H2,1-3H3,(H,33,40)(H,35,39)
• InChIKey: BSORVSQKVNGBNI-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.62
LogP ≤ 5	5.20
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-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (CID 155074277) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]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-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OCC1CCC(F)(F)CC1.

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

The InChIKey is BSORVSQKVNGBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O4/c1-18-22(24-8-9-27-36-26(35-19(2)39)16-38(27)37-24)14-23(29(34-18)41-3)28(40)33-15-21-6-4-5-7-25(21)42-17-20-10-12-30(31,32)13-11-20/h4-9,14,16,20H,10-13,15,17H2,1-3H3,(H,33,40)(H,35,39).

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide has a molecular weight of 578.62 g/mol, XLogP of 5.20, 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-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).