5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile

C₁₆H₁₅N₇ — CID 155974846

About 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile

5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 155974846) has the molecular formula C₁₆H₁₅N₇ and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile
• PubChem CID: 155974846
• Molecular Formula: C₁₆H₁₅N₇
• Molecular Weight: 305.35 g/mol
• Exact Mass: 305.14
• IUPAC Name: 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile
• SMILES: N#Cc1ccc(N2CCN(c3ccc4nccn4n3)CC2)cn1
• InChI: InChI=1S/C16H15N7/c17-11-13-1-2-14(12-19-13)21-7-9-22(10-8-21)16-4-3-15-18-5-6-23(15)20-16/h1-6,12H,7-10H2
• InChIKey: CJCYJCXTSJEILY-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 73.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.35
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile?

The IUPAC name of 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile (CID 155974846) is 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile.

What is the SMILES notation for 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile?

The canonical SMILES for 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile is N#Cc1ccc(N2CCN(c3ccc4nccn4n3)CC2)cn1.

What is the InChIKey of 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile?

The InChIKey is CJCYJCXTSJEILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c17-11-13-1-2-14(12-19-13)21-7-9-22(10-8-21)16-4-3-15-18-5-6-23(15)20-16/h1-6,12H,7-10H2.

What are the key properties of 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile?

5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 305.35 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 155974846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155974846 — identifiers, structure, computed properties (public domain)

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