[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid

C20H24F3N5O6S — CID 134150384

About [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid

[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid (PubChem CID 134150384) has the molecular formula C20H24F3N5O6S and a molecular weight of 519.50 g/mol. Its IUPAC name is [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid.

Molecular Properties

• Compound Name: [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid
• PubChem CID: 134150384
• Molecular Formula: C20H24F3N5O6S
• Molecular Weight: 519.50 g/mol
• Exact Mass: 519.14
• IUPAC Name: [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid
• SMILES: Cc1c(Cc2c(CO)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.O=S(=O)(O)O
• InChI: InChI=1S/C20H22F3N5O2.H2O4S/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27;1-5(2,3)4/h2-4,10,29H,5-9,11,24H2,1H3;(H2,1,2,3,4)
• InChIKey: DEDLWDFEOVXFPA-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 163.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.50
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid?

The IUPAC name of [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid (CID 134150384) is [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid.

What is the SMILES notation for [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid?

The canonical SMILES for [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid is Cc1c(Cc2c(CO)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.O=S(=O)(O)O.

What is the InChIKey of [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid?

The InChIKey is DEDLWDFEOVXFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2.H2O4S/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27;1-5(2,3)4/h2-4,10,29H,5-9,11,24H2,1H3;(H2,1,2,3,4).

What are the key properties of [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid?

[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid has a molecular weight of 519.50 g/mol, XLogP of 1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol;sulfuric acid is sourced from PubChem (CID 134150384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).