3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine

C34H38ClN13 — CID 68794239

About 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 68794239) has the molecular formula C34H38ClN13 and a molecular weight of 664.22 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
• PubChem CID: 68794239
• Molecular Formula: C34H38ClN13
• Molecular Weight: 664.22 g/mol
• Exact Mass: 663.31
• IUPAC Name: 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
• SMILES: Clc1cccc(-c2cnc3ccc(NCCN4CCCC4)nn23)c1.Cn1cc(-c2cnc3ccc(NCCCn4ccnc4)nn23)cn1
• InChI: InChI=1S/C18H20ClN5.C16H18N8/c19-15-5-3-4-14(12-15)16-13-21-18-7-6-17(22-24(16)18)20-8-11-23-9-1-2-10-23;1-22-11-13(9-20-22)14-10-19-16-4-3-15(21-24(14)16)18-5-2-7-23-8-6-17-12-23/h3-7,12-13H,1-2,8-11H2,(H,20,22);3-4,6,8-12H,2,5,7H2,1H3,(H,18,21)
• InChIKey: YRMKLSHCPQBEPX-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 123.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	664.22
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?

The IUPAC name of 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 68794239) is 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine.

What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?

The canonical SMILES for 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine is Clc1cccc(-c2cnc3ccc(NCCN4CCCC4)nn23)c1.Cn1cc(-c2cnc3ccc(NCCCn4ccnc4)nn23)cn1.

What is the InChIKey of 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?

The InChIKey is YRMKLSHCPQBEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5.C16H18N8/c19-15-5-3-4-14(12-15)16-13-21-18-7-6-17(22-24(16)18)20-8-11-23-9-1-2-10-23;1-22-11-13(9-20-22)14-10-19-16-4-3-15(21-24(14)16)18-5-2-7-23-8-6-17-12-23/h3-7,12-13H,1-2,8-11H2,(H,20,22);3-4,6,8-12H,2,5,7H2,1H3,(H,18,21).

What are the key properties of 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?

3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 664.22 g/mol, XLogP of 5.39, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-b]pyridazin-6-amine;N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 68794239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).