2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide

C22H16F5N5O2 — CID 166931521

IUPAC2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCNc1cn2nc(-c3cccc(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3F)ccc2n1
InChIInChI=1S/C22H16F5N5O2/c1-28-18-11-32-19(30-18)8-7-17(31-32)14-3-2-4-15(20(14)24)21(33)29-10-12-9-13(5-6-16(12)23)34-22(25,26)27/h2-9,11,28H,10H2,1H3,(H,29,33)
InChIKeyITJUYIAKEYTIMY-UHFFFAOYSA-N
MW477.39 g/mol
LogP4.54
Rot. Bonds6

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

2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 166931521) has the molecular formula C22H16F5N5O2 and a molecular weight of 477.39 g/mol. Its IUPAC name is 2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID166931521
Molecular FormulaC22H16F5N5O2
Molecular Weight477.39 g/mol
Exact Mass477.12
IUPAC Name2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCNc1cn2nc(-c3cccc(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3F)ccc2n1
InChIInChI=1S/C22H16F5N5O2/c1-28-18-11-32-19(30-18)8-7-17(31-32)14-3-2-4-15(20(14)24)21(33)29-10-12-9-13(5-6-16(12)23)34-22(25,26)27/h2-9,11,28H,10H2,1H3,(H,29,33)
InChIKeyITJUYIAKEYTIMY-UHFFFAOYSA-N
XLogP4.54
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-chloro-4-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]benzamide
CID 166931537
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-6-chloro-2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]benzamide
CID 166931435
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide
CID 155089158
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)-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-[(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)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide
CID 166931514
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 155074269
[2-[[6-[5-[[[2-fluoro-5-(trifluoromethoxy)phenyl]methylamino]-hydroxymethyl]-2,6-dimethyl-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl] dihydrogen phosphate
CID 166931439
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-fluoro-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-6-hydroxybenzamide
CID 166931505
N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2,6-dimethylpyridine-3-carboxamide
CID 155074380

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 166931521) is 2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide is CNc1cn2nc(-c3cccc(C(=O)NCc4cc(OC(F)(F)F)ccc4F)c3F)ccc2n1.
What is the InChIKey of 2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is ITJUYIAKEYTIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5N5O2/c1-28-18-11-32-19(30-18)8-7-17(31-32)14-3-2-4-15(20(14)24)21(33)29-10-12-9-13(5-6-16(12)23)34-22(25,26)27/h2-9,11,28H,10H2,1H3,(H,29,33).
What are the key properties of 2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide?
2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 477.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 166931521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).