1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine

C29H34N6O — CID 159116567

About 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine

1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine (PubChem CID 159116567) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine.

Molecular Properties

• Compound Name: 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
• PubChem CID: 159116567
• Molecular Formula: C29H34N6O
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.28
• IUPAC Name: 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
• SMILES: CCCCC(C)c1cccc(/C=N/Cc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)c1
• InChI: InChI=1S/C29H34N6O/c1-3-4-6-22(2)25-8-5-7-23(17-25)19-31-20-26-18-28(34-13-15-36-16-14-34)29-32-27(21-35(29)33-26)24-9-11-30-12-10-24/h5,7-12,17-19,21-22H,3-4,6,13-16,20H2,1-2H3/b31-19+
• InChIKey: KFDZTJGHRCMXDA-ZCTHSVRISA-N
• XLogP: 5.54
• TPSA: 67.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?

The IUPAC name of 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine (CID 159116567) is 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine.

What is the SMILES notation for 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?

The canonical SMILES for 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine is CCCCC(C)c1cccc(/C=N/Cc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)c1.

What is the InChIKey of 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?

The InChIKey is KFDZTJGHRCMXDA-ZCTHSVRISA-N. The full InChI is InChI=1S/C29H34N6O/c1-3-4-6-22(2)25-8-5-7-23(17-25)19-31-20-26-18-28(34-13-15-36-16-14-34)29-32-27(21-35(29)33-26)24-9-11-30-12-10-24/h5,7-12,17-19,21-22H,3-4,6,13-16,20H2,1-2H3/b31-19+.

What are the key properties of 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?

1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine has a molecular weight of 482.63 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine is sourced from PubChem (CID 159116567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).