1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+)

C24H20N8Pd — CID 58084448

About 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+)

1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+) (PubChem CID 58084448) has the molecular formula C24H20N8Pd and a molecular weight of 526.90 g/mol. Its IUPAC name is 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+).

Molecular Properties

• Compound Name: 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+)
• PubChem CID: 58084448
• Molecular Formula: C24H20N8Pd
• Molecular Weight: 526.90 g/mol
• Exact Mass: 526.08
• IUPAC Name: 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+)
• SMILES: [C-]#[N+]c1c[c-]n(-c2cccc(C(C)(C)C(C)(C)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pd+2]
• InChI: InChI=1S/C24H20N8.Pd/c1-23(2,18-8-6-10-21(27-18)31-14-12-17(16-25)29-31)24(3,4)19-9-7-11-22(28-19)32-15-13-20(26-5)30-32;/h6-13H,1-4H3;/q-2;+2
• InChIKey: FPTXNVJROOMGDH-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 89.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.90
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+)?

The IUPAC name of 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+) (CID 58084448) is 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+).

What is the SMILES notation for 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+)?

The canonical SMILES for 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+) is [C-]#[N+]c1c[c-]n(-c2cccc(C(C)(C)C(C)(C)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pd+2].

What is the InChIKey of 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+)?

The InChIKey is FPTXNVJROOMGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8.Pd/c1-23(2,18-8-6-10-21(27-18)31-14-12-17(16-25)29-31)24(3,4)19-9-7-11-22(28-19)32-15-13-20(26-5)30-32;/h6-13H,1-4H3;/q-2;+2.

What are the key properties of 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+)?

1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+) has a molecular weight of 526.90 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;palladium(2+) is sourced from PubChem (CID 58084448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).