4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+)

C23H18F6N6O2Pd — CID 58084563

About 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+)

4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+) (PubChem CID 58084563) has the molecular formula C23H18F6N6O2Pd and a molecular weight of 630.85 g/mol. Its IUPAC name is 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+).

Molecular Properties

• Compound Name: 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+)
• PubChem CID: 58084563
• Molecular Formula: C23H18F6N6O2Pd
• Molecular Weight: 630.85 g/mol
• Exact Mass: 630.04
• IUPAC Name: 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+)
• SMILES: COc1cc(-n2[c-]cc(C(F)(F)F)n2)nc(C(C)(C)c2cc(OC)cc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.[Pd+2]
• InChI: InChI=1S/C23H18F6N6O2.Pd/c1-21(2,17-9-13(36-3)11-19(30-17)34-7-5-15(32-34)22(24,25)26)18-10-14(37-4)12-20(31-18)35-8-6-16(33-35)23(27,28)29;/h5-6,9-12H,1-4H3;/q-2;+2
• InChIKey: ITOYSUVWBRMAGC-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 79.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.85
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+)?

The IUPAC name of 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+) (CID 58084563) is 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+).

What is the SMILES notation for 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+)?

The canonical SMILES for 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+) is COc1cc(-n2[c-]cc(C(F)(F)F)n2)nc(C(C)(C)c2cc(OC)cc(-n3[c-]cc(C(F)(F)F)n3)n2)c1.[Pd+2].

What is the InChIKey of 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+)?

The InChIKey is ITOYSUVWBRMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N6O2.Pd/c1-21(2,17-9-13(36-3)11-19(30-17)34-7-5-15(32-34)22(24,25)26)18-10-14(37-4)12-20(31-18)35-8-6-16(33-35)23(27,28)29;/h5-6,9-12H,1-4H3;/q-2;+2.

What are the key properties of 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+)?

4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+) has a molecular weight of 630.85 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;palladium(2+) is sourced from PubChem (CID 58084563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).