methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate

C21H22F3N5O3 — CID 121426240

IUPACmethyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)nn2c(Nc3cccc(C(F)(F)F)c3C)c(C)nc12
InChIInChI=1S/C21H22F3N5O3/c1-12-15(21(22,23)24)5-4-6-16(12)26-18-13(2)25-19-14(20(30)31-3)11-17(27-29(18)19)28-7-9-32-10-8-28/h4-6,11,26H,7-10H2,1-3H3
InChIKeyIVGGVCJDUDFDCI-UHFFFAOYSA-N
MW449.43 g/mol
LogP3.73
Rot. Bonds4

About methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate

methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 121426240) has the molecular formula C21H22F3N5O3 and a molecular weight of 449.43 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate
PubChem CID121426240
Molecular FormulaC21H22F3N5O3
Molecular Weight449.43 g/mol
Exact Mass449.17
IUPAC Namemethyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)nn2c(Nc3cccc(C(F)(F)F)c3C)c(C)nc12
InChIInChI=1S/C21H22F3N5O3/c1-12-15(21(22,23)24)5-4-6-16(12)26-18-13(2)25-19-14(20(30)31-3)11-17(27-29(18)19)28-7-9-32-10-8-28/h4-6,11,26H,7-10H2,1-3H3
InChIKeyIVGGVCJDUDFDCI-UHFFFAOYSA-N
XLogP3.73
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate with MolForge

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Related Compounds

2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426376
methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate
CID 140828909
2-[4-[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol
CID 121426272
N,N-dimethyl-N'-[2-methyl-3-[2-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]methanimidamide
CID 138739256
4-[8-(1H-imidazol-5-yl)-2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 137167628
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
CID 134301992
[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanamine
CID 134296165
2-(aminomethyl)-2-(hydroxymethyl)propane-1,3-diol;2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 56927663
3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 140828967
4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-8-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 121426299
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464
[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl 2-(4-methylpiperazin-1-yl)acetate
CID 121427470

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate?
The IUPAC name of methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate (CID 121426240) is methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate is COC(=O)c1cc(N2CCOCC2)nn2c(Nc3cccc(C(F)(F)F)c3C)c(C)nc12.
What is the InChIKey of methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate?
The InChIKey is IVGGVCJDUDFDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O3/c1-12-15(21(22,23)24)5-4-6-16(12)26-18-13(2)25-19-14(20(30)31-3)11-17(27-29(18)19)28-7-9-32-10-8-28/h4-6,11,26H,7-10H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate?
methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 449.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 121426240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).