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

C21H22F3N5O2 — CID 121426388

IUPAC2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)nn2c1Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C21H22F3N5O2/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)26-20-15(19(25)30)11-18(27-29(17)20)28-6-8-31-9-7-28/h3-5,11H,6-10H2,1-2H3,(H2,25,30)
InChIKeyLIQQLHSREQDUHL-UHFFFAOYSA-N
MW433.43 g/mol
LogP2.89
Rot. Bonds4

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

2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 121426388) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID121426388
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)nn2c1Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C21H22F3N5O2/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)26-20-15(19(25)30)11-18(27-29(17)20)28-6-8-31-9-7-28/h3-5,11H,6-10H2,1-2H3,(H2,25,30)
InChIKeyLIQQLHSREQDUHL-UHFFFAOYSA-N
XLogP2.89
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

GSK-3|A inhibitor 13
CID 134551592
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-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
2-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1069844
3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide
CID 154585730
(7-Difluoromethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl)-morpholin-4-yl-methanone
CID 652417
7-(difluoromethyl)-N-morpholin-4-yl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995380
3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1004815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide (CID 121426388) is 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide is Cc1nc2c(C(N)=O)cc(N3CCOCC3)nn2c1Cc1cccc(C(F)(F)F)c1C.
What is the InChIKey of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is LIQQLHSREQDUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)26-20-15(19(25)30)11-18(27-29(17)20)28-6-8-31-9-7-28/h3-5,11H,6-10H2,1-2H3,(H2,25,30).
What are the key properties of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 121426388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).