N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine

C37H38FN5O3 — CID 121426180

About N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine

N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine (PubChem CID 121426180) has the molecular formula C37H38FN5O3 and a molecular weight of 619.74 g/mol. Its IUPAC name is N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine.

Molecular Properties

• Compound Name: N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine
• PubChem CID: 121426180
• Molecular Formula: C37H38FN5O3
• Molecular Weight: 619.74 g/mol
• Exact Mass: 619.30
• IUPAC Name: N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine
• SMILES: Cc1nc2c(N=C(c3ccccc3)c3ccccc3)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1COC1CCCCO1
• InChI: InChI=1S/C37H38FN5O3/c1-26-33(23-29-15-10-16-31(38)30(29)25-46-35-17-8-9-20-45-35)43-37(39-26)32(24-34(41-43)42-18-21-44-22-19-42)40-36(27-11-4-2-5-12-27)28-13-6-3-7-14-28/h2-7,10-16,24,35H,8-9,17-23,25H2,1H3
• InChIKey: JQSOHLRHPCLPKG-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 73.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.74
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine?

The IUPAC name of N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine (CID 121426180) is N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine.

What is the SMILES notation for N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine?

The canonical SMILES for N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine is Cc1nc2c(N=C(c3ccccc3)c3ccccc3)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1COC1CCCCO1.

What is the InChIKey of N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine?

The InChIKey is JQSOHLRHPCLPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38FN5O3/c1-26-33(23-29-15-10-16-31(38)30(29)25-46-35-17-8-9-20-45-35)43-37(39-26)32(24-34(41-43)42-18-21-44-22-19-42)40-36(27-11-4-2-5-12-27)28-13-6-3-7-14-28/h2-7,10-16,24,35H,8-9,17-23,25H2,1H3.

What are the key properties of N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine?

N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine has a molecular weight of 619.74 g/mol, XLogP of 6.82, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 121426180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).