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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

C109H96F6N32Pd5 — CID 161119360

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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 161119360) has the molecular formula C109H96F6N32Pd5 and a molecular weight of 2500.28 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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
• PubChem CID: 161119360
• Molecular Formula: C109H96F6N32Pd5
• Molecular Weight: 2500.28 g/mol
• Exact Mass: 2496.36
• 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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
• SMILES: CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-n2[c-]ccn2)n1)c1cccc(-n2[c-]ccn2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
• InChI: InChI=1S/C27H32N6.C21H14F6N6.C21H14N8.C21H20N6.C19H16N6.5Pd/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;1-19(2,13-5-3-7-17(28-13)32-11-9-15(30-32)20(22,23)24)14-6-4-8-18(29-14)33-12-10-16(31-33)21(25,26)27;1-21(2,16-6-4-8-19(24-16)28-12-10-15(14-22)26-28)17-7-5-9-20(25-17)29-13-11-18(23-3)27-29;1-15-11-13-26(24-15)19-9-5-7-17(22-19)21(3,4)18-8-6-10-20(23-18)27-14-12-16(2)25-27;1-19(2,15-7-3-9-17(22-15)24-13-5-11-20-24)16-8-4-10-18(23-16)25-14-6-12-21-25;;;;;/h9-16H,1-8H3;3-10H,1-2H3;4-11H,1-2H3;5-12H,1-4H3;3-12H,1-2H3;;;;;/q5*-2;5*+2
• InChIKey: JDYYYNHFXSWJPX-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 335.25 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2500.28
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 161119360) 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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-n2[c-]ccn2)n1)c1cccc(-n2[c-]ccn2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The InChIKey is JDYYYNHFXSWJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6.C21H14F6N6.C21H14N8.C21H20N6.C19H16N6.5Pd/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;1-19(2,13-5-3-7-17(28-13)32-11-9-15(30-32)20(22,23)24)14-6-4-8-18(29-14)33-12-10-16(31-33)21(25,26)27;1-21(2,16-6-4-8-19(24-16)28-12-10-15(14-22)26-28)17-7-5-9-20(25-17)29-13-11-18(23-3)27-29;1-15-11-13-26(24-15)19-9-5-7-17(22-19)21(3,4)18-8-6-10-20(23-18)27-14-12-16(2)25-27;1-19(2,15-7-3-9-17(22-15)24-13-5-11-20-24)16-8-4-10-18(23-16)25-14-6-12-21-25;;;;;/h9-16H,1-8H3;3-10H,1-2H3;4-11H,1-2H3;5-12H,1-4H3;3-12H,1-2H3;;;;;/q5*-2;5*+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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 2500.28 g/mol, XLogP of 19.53, 20 rotatable bonds, 0 hydrogen bond donors, and 31 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;1-[6-[2-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[2-[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 161119360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).