4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

C25H22F3N5O2 — CID 90456872

IUPAC4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C25H22F3N5O2/c1-16-5-6-17(24(34)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)21-15-22(32-9-11-35-12-10-32)23-29-7-8-33(23)31-21/h2-8,13-15H,9-12H2,1H3,(H,30,34)
InChIKeyXFHVGKYTPQEBHL-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.81
Rot. Bonds4

About 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 90456872) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID90456872
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C25H22F3N5O2/c1-16-5-6-17(24(34)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)21-15-22(32-9-11-35-12-10-32)23-29-7-8-33(23)31-21/h2-8,13-15H,9-12H2,1H3,(H,30,34)
InChIKeyXFHVGKYTPQEBHL-UHFFFAOYSA-N
XLogP4.81
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ponatinib
CID 24826799
Ponatinib Hydrochloride
CID 46908927
Olverembatinib
CID 51038269
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
(R)-N-(2-(2-Fluoro-3-hydroxy-3-methylbutyl)-6-morpholino-1-oxoisoindolin-5-YL)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 129284334
Vamotinib
CID 71475839
Discontinued See A191400
CID 71450146
Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-(1-piperazinylmethyl)-3-(trifluoromethyl)phenyl)-
CID 24826880
Ddr-trk-1
CID 121231414
5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 24764438
N-cyclopropyl-4-(8-((tetrahydro-2H-pyran-4-yl)methylamino)-6-(1,1,1-trifluoro-2-methylpropan-2-ylamino)imidazo(1,2-b)pyridazin-3-yl)benzamide
CID 66603863
4-Ethyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 71550931

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 90456872) is 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.
What is the InChIKey of 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XFHVGKYTPQEBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-16-5-6-17(24(34)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)21-15-22(32-9-11-35-12-10-32)23-29-7-8-33(23)31-21/h2-8,13-15H,9-12H2,1H3,(H,30,34).
What are the key properties of 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 481.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 90456872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).