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

C26H33F3N6O2 — CID 134296177

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

[1-[[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-4-yl]methanol (PubChem CID 134296177) has the molecular formula C26H33F3N6O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is [1-[[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: [1-[[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-4-yl]methanol
• PubChem CID: 134296177
• Molecular Formula: C26H33F3N6O2
• Molecular Weight: 518.58 g/mol
• Exact Mass: 518.26
• IUPAC Name: [1-[[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-4-yl]methanol
• SMILES: Cc1c(Cc2c(CN3CCC(CO)CC3)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
• InChI: InChI=1S/C26H33F3N6O2/c1-17-19(3-2-4-20(17)26(27,28)29)13-23-22(15-33-7-5-18(16-36)6-8-33)31-25-21(30)14-24(32-35(23)25)34-9-11-37-12-10-34/h2-4,14,18,36H,5-13,15-16,30H2,1H3
• InChIKey: IKXUCSZQFTUNTP-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.58
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [1-[[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-4-yl]methanol (CID 134296177) is [1-[[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-4-yl]methanol.

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

The canonical SMILES for [1-[[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-4-yl]methanol is Cc1c(Cc2c(CN3CCC(CO)CC3)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.

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

The InChIKey is IKXUCSZQFTUNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O2/c1-17-19(3-2-4-20(17)26(27,28)29)13-23-22(15-33-7-5-18(16-36)6-8-33)31-25-21(30)14-24(32-35(23)25)34-9-11-37-12-10-34/h2-4,14,18,36H,5-13,15-16,30H2,1H3.

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

[1-[[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 518.58 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 134296177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).