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

C24H20F4N6O3 — CID 155074377

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)ccc4OCC(F)(F)F)c3)ccc2n1
InChIInChI=1S/C24H20F4N6O3/c1-13-18(23(36)30-10-16-7-17(25)3-5-20(16)37-12-24(26,27)28)8-15(9-29-13)19-4-6-22-32-21(31-14(2)35)11-34(22)33-19/h3-9,11H,10,12H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyXCSSMNQQBWWIOB-UHFFFAOYSA-N
MW516.46 g/mol
LogP4.07
Rot. Bonds7

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide (PubChem CID 155074377) has the molecular formula C24H20F4N6O3 and a molecular weight of 516.46 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide
PubChem CID155074377
Molecular FormulaC24H20F4N6O3
Molecular Weight516.46 g/mol
Exact Mass516.15
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)ccc4OCC(F)(F)F)c3)ccc2n1
InChIInChI=1S/C24H20F4N6O3/c1-13-18(23(36)30-10-16-7-17(25)3-5-20(16)37-12-24(26,27)28)8-15(9-29-13)19-4-6-22-32-21(31-14(2)35)11-34(22)33-19/h3-9,11H,10,12H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyXCSSMNQQBWWIOB-UHFFFAOYSA-N
XLogP4.07
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide (CID 155074377) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)ccc4OCC(F)(F)F)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is XCSSMNQQBWWIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O3/c1-13-18(23(36)30-10-16-7-17(25)3-5-20(16)37-12-24(26,27)28)8-15(9-29-13)19-4-6-22-32-21(31-14(2)35)11-34(22)33-19/h3-9,11H,10,12H2,1-2H3,(H,30,36)(H,31,35).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 516.46 g/mol, XLogP of 4.07, 7 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-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).