N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine

C52H48N18 — CID 87579541

About N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine

N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 87579541) has the molecular formula C52H48N18 and a molecular weight of 925.08 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine
• PubChem CID: 87579541
• Molecular Formula: C52H48N18
• Molecular Weight: 925.08 g/mol
• Exact Mass: 924.43
• IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine
• SMILES: CN(c1cccnc1)c1ccc2ncc(-c3ccccc3)n2n1.CN(c1cccnc1)c1ccc2ncc(-c3cnn(C)c3)n2n1.c1ccc(-c2cnc3ccc(NCCCn4ccnc4)nn23)cc1
• InChI: InChI=1S/C18H18N6.C18H15N5.C16H15N7/c1-2-5-15(6-3-1)16-13-21-18-8-7-17(22-24(16)18)20-9-4-11-23-12-10-19-14-23;1-22(15-8-5-11-19-12-15)18-10-9-17-20-13-16(23(17)21-18)14-6-3-2-4-7-14;1-21-11-12(8-19-21)14-10-18-15-5-6-16(20-23(14)15)22(2)13-4-3-7-17-9-13/h1-3,5-8,10,12-14H,4,9,11H2,(H,20,22);2-13H,1H3;3-11H,1-2H3
• InChIKey: XAQLWKBJPCXKKF-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 170.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.08
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine?

The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine (CID 87579541) is N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine.

What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine?

The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine is CN(c1cccnc1)c1ccc2ncc(-c3ccccc3)n2n1.CN(c1cccnc1)c1ccc2ncc(-c3cnn(C)c3)n2n1.c1ccc(-c2cnc3ccc(NCCCn4ccnc4)nn23)cc1.

What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine?

The InChIKey is XAQLWKBJPCXKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6.C18H15N5.C16H15N7/c1-2-5-15(6-3-1)16-13-21-18-8-7-17(22-24(16)18)20-9-4-11-23-12-10-19-14-23;1-22(15-8-5-11-19-12-15)18-10-9-17-20-13-16(23(17)21-18)14-6-3-2-4-7-14;1-21-11-12(8-19-21)14-10-18-15-5-6-16(20-23(14)15)22(2)13-4-3-7-17-9-13/h1-3,5-8,10,12-14H,4,9,11H2,(H,20,22);2-13H,1H3;3-11H,1-2H3.

What are the key properties of N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine?

N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 925.08 g/mol, XLogP of 8.95, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 87579541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).