formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol

C30H34F3N7O4 — CID 160518399

About formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol

formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 160518399) has the molecular formula C30H34F3N7O4 and a molecular weight of 613.64 g/mol. Its IUPAC name is formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

• Compound Name: formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol
• PubChem CID: 160518399
• Molecular Formula: C30H34F3N7O4
• Molecular Weight: 613.64 g/mol
• Exact Mass: 613.26
• IUPAC Name: formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol
• SMILES: Cc1c(Cc2c(CN3CC4(CC(O)C4)C3)nc3c(-c4cnc[nH]4)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.O=CO
• InChI: InChI=1S/C29H32F3N7O2.CH2O2/c1-18-19(3-2-4-22(18)29(30,31)32)9-25-24(14-37-15-28(16-37)11-20(40)12-28)35-27-21(23-13-33-17-34-23)10-26(36-39(25)27)38-5-7-41-8-6-38;2-1-3/h2-4,10,13,17,20,40H,5-9,11-12,14-16H2,1H3,(H,33,34);1H,(H,2,3)
• InChIKey: QTYNOVQRSNXJCT-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 132.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.64
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol?

The IUPAC name of formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol (CID 160518399) is formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol.

What is the SMILES notation for formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol?

The canonical SMILES for formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol is Cc1c(Cc2c(CN3CC4(CC(O)C4)C3)nc3c(-c4cnc[nH]4)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.O=CO.

What is the InChIKey of formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol?

The InChIKey is QTYNOVQRSNXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7O2.CH2O2/c1-18-19(3-2-4-22(18)29(30,31)32)9-25-24(14-37-15-28(16-37)11-20(40)12-28)35-27-21(23-13-33-17-34-23)10-26(36-39(25)27)38-5-7-41-8-6-38;2-1-3/h2-4,10,13,17,20,40H,5-9,11-12,14-16H2,1H3,(H,33,34);1H,(H,2,3).

What are the key properties of formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol?

formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 613.64 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;2-[[8-(1H-imidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 160518399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).