3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide

C23H15F6N5O2 — CID 166931514

IUPAC3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(=O)Nc1cn2nc(-c3c(F)ccc(C(=O)NCc4cc(C(F)(F)F)ccc4F)c3F)ccc2n1
InChIInChI=1S/C23H15F6N5O2/c1-11(35)31-18-10-34-19(32-18)7-6-17(33-34)20-16(25)5-3-14(21(20)26)22(36)30-9-12-8-13(23(27,28)29)2-4-15(12)24/h2-8,10H,9H2,1H3,(H,30,36)(H,31,35)
InChIKeyZCBXLCXTFHWPDI-UHFFFAOYSA-N
MW507.39 g/mol
LogP4.72
Rot. Bonds5

About 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide

3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 166931514) has the molecular formula C23H15F6N5O2 and a molecular weight of 507.39 g/mol. Its IUPAC name is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID166931514
Molecular FormulaC23H15F6N5O2
Molecular Weight507.39 g/mol
Exact Mass507.11
IUPAC Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(=O)Nc1cn2nc(-c3c(F)ccc(C(=O)NCc4cc(C(F)(F)F)ccc4F)c3F)ccc2n1
InChIInChI=1S/C23H15F6N5O2/c1-11(35)31-18-10-34-19(32-18)7-6-17(33-34)20-16(25)5-3-14(21(20)26)22(36)30-9-12-8-13(23(27,28)29)2-4-15(12)24/h2-8,10H,9H2,1H3,(H,30,36)(H,31,35)
InChIKeyZCBXLCXTFHWPDI-UHFFFAOYSA-N
XLogP4.72
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.39
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 155074269
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 155074388
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide
CID 155089158
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-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
2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67509549
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-6-chloro-2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]benzamide
CID 166931435
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)-2-methoxy-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 155074349
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
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 155074393

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide (CID 166931514) is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide is CC(=O)Nc1cn2nc(-c3c(F)ccc(C(=O)NCc4cc(C(F)(F)F)ccc4F)c3F)ccc2n1.
What is the InChIKey of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is ZCBXLCXTFHWPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N5O2/c1-11(35)31-18-10-34-19(32-18)7-6-17(33-34)20-16(25)5-3-14(21(20)26)22(36)30-9-12-8-13(23(27,28)29)2-4-15(12)24/h2-8,10H,9H2,1H3,(H,30,36)(H,31,35).
What are the key properties of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide?
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 507.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 166931514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).