2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)

C27H32N6Pd — CID 54687240

About 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+) (PubChem CID 54687240) has the molecular formula C27H32N6Pd and a molecular weight of 547.02 g/mol. Its IUPAC name is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+).

Molecular Properties

• Compound Name: 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)
• PubChem CID: 54687240
• Molecular Formula: C27H32N6Pd
• Molecular Weight: 547.02 g/mol
• Exact Mass: 546.17
• IUPAC Name: 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)
• SMILES: CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.[Pd+2]
• InChI: InChI=1S/C27H32N6.Pd/c1-25(2,3)19-15-17-32(30-19)23-13-9-11-21(28-23)27(7,8)22-12-10-14-24(29-22)33-18-16-20(31-33)26(4,5)6;/h9-16H,1-8H3;/q-2;+2
• InChIKey: SZWVPDYIMKGSDI-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.02
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)?

The IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+) (CID 54687240) is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+).

What is the SMILES notation for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)?

The canonical SMILES for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+) is CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.[Pd+2].

What is the InChIKey of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)?

The InChIKey is SZWVPDYIMKGSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6.Pd/c1-25(2,3)19-15-17-32(30-19)23-13-9-11-21(28-23)27(7,8)22-12-10-14-24(29-22)33-18-16-20(31-33)26(4,5)6;/h9-16H,1-8H3;/q-2;+2.

What are the key properties of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)?

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+) has a molecular weight of 547.02 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+) is sourced from PubChem (CID 54687240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).