1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol

C25H27F3N8O2 — CID 137167625

About 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol

1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol (PubChem CID 137167625) has the molecular formula C25H27F3N8O2 and a molecular weight of 528.54 g/mol. Its IUPAC name is 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol.

Molecular Properties

• Compound Name: 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
• PubChem CID: 137167625
• Molecular Formula: C25H27F3N8O2
• Molecular Weight: 528.54 g/mol
• Exact Mass: 528.22
• IUPAC Name: 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
• SMILES: Cc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CC(O)C1
• InChI: InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30)
• InChIKey: MAEHEIXUINDDHE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 106.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.54
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?

The IUPAC name of 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol (CID 137167625) is 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol.

What is the SMILES notation for 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?

The canonical SMILES for 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol is Cc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CC(O)C1.

What is the InChIKey of 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?

The InChIKey is MAEHEIXUINDDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30).

What are the key properties of 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol?

1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol has a molecular weight of 528.54 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[[8-(1H-imidazol-5-yl)-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol is sourced from PubChem (CID 137167625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).