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

C28H28F2N6O4 — CID 155074165

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4OC4CCCOC4)c(C)nc3C)ccc2n1
InChIInChI=1S/C28H28F2N6O4/c1-15-21(24-6-7-26-34-25(33-17(3)37)13-36(26)35-24)11-22(16(2)32-15)28(38)31-12-18-9-19(29)10-23(30)27(18)40-20-5-4-8-39-14-20/h6-7,9-11,13,20H,4-5,8,12,14H2,1-3H3,(H,31,38)(H,33,37)
InChIKeyUXALHPARHUTVGB-UHFFFAOYSA-N
MW550.57 g/mol
LogP4.13
Rot. Bonds7

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 155074165) has the molecular formula C28H28F2N6O4 and a molecular weight of 550.57 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID155074165
Molecular FormulaC28H28F2N6O4
Molecular Weight550.57 g/mol
Exact Mass550.21
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4OC4CCCOC4)c(C)nc3C)ccc2n1
InChIInChI=1S/C28H28F2N6O4/c1-15-21(24-6-7-26-34-25(33-17(3)37)13-36(26)35-24)11-22(16(2)32-15)28(38)31-12-18-9-19(29)10-23(30)27(18)40-20-5-4-8-39-14-20/h6-7,9-11,13,20H,4-5,8,12,14H2,1-3H3,(H,31,38)(H,33,37)
InChIKeyUXALHPARHUTVGB-UHFFFAOYSA-N
XLogP4.13
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.57
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (CID 155074165) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(F)cc(F)c4OC4CCCOC4)c(C)nc3C)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is UXALHPARHUTVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O4/c1-15-21(24-6-7-26-34-25(33-17(3)37)13-36(26)35-24)11-22(16(2)32-15)28(38)31-12-18-9-19(29)10-23(30)27(18)40-20-5-4-8-39-14-20/h6-7,9-11,13,20H,4-5,8,12,14H2,1-3H3,(H,31,38)(H,33,37).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 550.57 g/mol, XLogP of 4.13, 7 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-[[3,5-difluoro-2-(oxan-3-yloxy)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 155074165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).