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

C24H18F5N5O2 — CID 155074388

IUPAC3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(C(F)(F)F)ccc4F)cc(F)c3C)ccc2n1
InChIInChI=1S/C24H18F5N5O2/c1-12-17(20-5-6-22-32-21(31-13(2)35)11-34(22)33-20)8-14(9-19(12)26)23(36)30-10-15-7-16(24(27,28)29)3-4-18(15)25/h3-9,11H,10H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyPODMFDMXYNDUSF-UHFFFAOYSA-N
MW503.43 g/mol
LogP4.89
Rot. Bonds5

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

3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide (PubChem CID 155074388) has the molecular formula C24H18F5N5O2 and a molecular weight of 503.43 g/mol. Its IUPAC name is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
PubChem CID155074388
Molecular FormulaC24H18F5N5O2
Molecular Weight503.43 g/mol
Exact Mass503.14
IUPAC Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(C(F)(F)F)ccc4F)cc(F)c3C)ccc2n1
InChIInChI=1S/C24H18F5N5O2/c1-12-17(20-5-6-22-32-21(31-13(2)35)11-34(22)33-20)8-14(9-19(12)26)23(36)30-10-15-7-16(24(27,28)29)3-4-18(15)25/h3-9,11H,10H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyPODMFDMXYNDUSF-UHFFFAOYSA-N
XLogP4.89
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.43
LogP ≤ 54.89
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)-2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzamide
CID 166931514
2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67509549
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
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-6-chloro-2-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]benzamide
CID 166931435
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510089
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
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67511343
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide (CID 155074388) is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cc(C(F)(F)F)ccc4F)cc(F)c3C)ccc2n1.
What is the InChIKey of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
The InChIKey is PODMFDMXYNDUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N5O2/c1-12-17(20-5-6-22-32-21(31-13(2)35)11-34(22)33-20)8-14(9-19(12)26)23(36)30-10-15-7-16(24(27,28)29)3-4-18(15)25/h3-9,11H,10H2,1-2H3,(H,30,36)(H,31,35).
What are the key properties of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide has a molecular weight of 503.43 g/mol, XLogP of 4.89, 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)-5-fluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 155074388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).