5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide

C24H18F5N5O3 — CID 155089158

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide
SMILESCC(=O)Nc1cn2nc(-c3cc(F)c(C)c(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3)ccc2n1
InChIInChI=1S/C24H18F5N5O3/c1-12-17(23(36)30-10-15-7-16(3-4-18(15)25)37-24(27,28)29)8-14(9-19(12)26)20-5-6-22-32-21(31-13(2)35)11-34(22)33-20/h3-9,11H,10H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyZCYODDJUTJAOGL-UHFFFAOYSA-N
MW519.43 g/mol
LogP4.77
Rot. Bonds6

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide (PubChem CID 155089158) has the molecular formula C24H18F5N5O3 and a molecular weight of 519.43 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide
PubChem CID155089158
Molecular FormulaC24H18F5N5O3
Molecular Weight519.43 g/mol
Exact Mass519.13
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide
SMILESCC(=O)Nc1cn2nc(-c3cc(F)c(C)c(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3)ccc2n1
InChIInChI=1S/C24H18F5N5O3/c1-12-17(23(36)30-10-15-7-16(3-4-18(15)25)37-24(27,28)29)8-14(9-19(12)26)20-5-6-22-32-21(31-13(2)35)11-34(22)33-20/h3-9,11H,10H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyZCYODDJUTJAOGL-UHFFFAOYSA-N
XLogP4.77
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxybenzamide
CID 142580852
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-ethyl-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142580862
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-4-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]benzamide
CID 166931537
5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 154697468
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-6-chloro-2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]benzamide
CID 166931435
tris[2-[[6-[5-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]-2,6-dimethyl-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl] phosphate
CID 155074336
2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 166931521
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 155074393
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 155074388
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide
CID 166931514
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142581016
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-deuterio-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
CID 155074098

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide (CID 155089158) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide is CC(=O)Nc1cn2nc(-c3cc(F)c(C)c(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide?
The InChIKey is ZCYODDJUTJAOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N5O3/c1-12-17(23(36)30-10-15-7-16(3-4-18(15)25)37-24(27,28)29)8-14(9-19(12)26)20-5-6-22-32-21(31-13(2)35)11-34(22)33-20/h3-9,11H,10H2,1-2H3,(H,30,36)(H,31,35).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide has a molecular weight of 519.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 155089158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).