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

C20H21F3N6O2 — CID 121426242

IUPAC2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C20H21F3N6O2/c1-11-14(20(21,22)23)4-3-5-15(11)26-18-12(2)25-19-13(17(24)30)10-16(27-29(18)19)28-6-8-31-9-7-28/h3-5,10,26H,6-9H2,1-2H3,(H2,24,30)
InChIKeyVDVWHINMCCZRAK-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.04
Rot. Bonds4

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

2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 121426242) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID121426242
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C20H21F3N6O2/c1-11-14(20(21,22)23)4-3-5-15(11)26-18-12(2)25-19-13(17(24)30)10-16(27-29(18)19)28-6-8-31-9-7-28/h3-5,10,26H,6-9H2,1-2H3,(H2,24,30)
InChIKeyVDVWHINMCCZRAK-UHFFFAOYSA-N
XLogP3.04
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

GSK-3|A inhibitor 13
CID 134551592
2-methyl-3-N-[2-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 121426227
US10774086, Example 17
CID 134551553
US10774086, Example 13
CID 134551589
US10774086, Example 25
CID 134551606
US10774086, Example 18
CID 134551945
US10774086, Example 26
CID 139465943
2-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1069844
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 1110941
4-[5-[(3-Fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 44449832
2-Methyl-3-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-5-(4-morpholinyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 71270913
1-[[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 121426239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide (CID 121426242) is 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide is Cc1nc2c(C(N)=O)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C.
What is the InChIKey of 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is VDVWHINMCCZRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-11-14(20(21,22)23)4-3-5-15(11)26-18-12(2)25-19-13(17(24)30)10-16(27-29(18)19)28-6-8-31-9-7-28/h3-5,10,26H,6-9H2,1-2H3,(H2,24,30).
What are the key properties of 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 121426242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).