6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine

C91H77N29OPd4 — CID 158039849

About 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine

6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine (PubChem CID 158039849) has the molecular formula C91H77N29OPd4 and a molecular weight of 2018.50 g/mol. Its IUPAC name is 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine.

Molecular Properties

• Compound Name: 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine
• PubChem CID: 158039849
• Molecular Formula: C91H77N29OPd4
• Molecular Weight: 2018.50 g/mol
• Exact Mass: 2015.30
• IUPAC Name: 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine
• SMILES: CC(C)(C)c1c[c-]n(-c2cccc(C(=O)c3ccnc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(C)c1c[c-]n(-c2cccc(N(c3ccccc3)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(C(C#N)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1ccnn1-c1cccc(Cc2cccc(-n3[c-]ccn3)n2)n1
• InChI: InChI=1S/C30H31N7.C24H25N7O.C20H9N9.C17H12N6.4Pd/c1-29(2,3)23-18-20-35(33-23)25-14-10-16-27(31-25)37(22-12-8-7-9-13-22)28-17-11-15-26(32-28)36-21-19-24(34-36)30(4,5)6;1-23(2,3)18-11-14-30(28-18)20-9-7-8-16(26-20)21(32)17-10-13-25-22(27-17)31-15-12-19(29-31)24(4,5)6;1-23-18-9-11-29(27-18)20-7-3-5-17(25-20)15(13-22)16-4-2-6-19(24-16)28-10-8-14(12-21)26-28;1-5-14(20-16(7-1)22-11-3-9-18-22)13-15-6-2-8-17(21-15)23-12-4-10-19-23;;;;/h7-19H,1-6H3;7-13H,1-6H3;2-9,15H;1-10H,13H2;;;;/q4*-2;4*+2
• InChIKey: YMLQSOLEEVVARV-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 330.82 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2018.50
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine?

The IUPAC name of 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine (CID 158039849) is 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine.

What is the SMILES notation for 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine?

The canonical SMILES for 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine is CC(C)(C)c1c[c-]n(-c2cccc(C(=O)c3ccnc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(C)c1c[c-]n(-c2cccc(N(c3ccccc3)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(C(C#N)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1ccnn1-c1cccc(Cc2cccc(-n3[c-]ccn3)n2)n1.

What is the InChIKey of 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine?

The InChIKey is YMLQSOLEEVVARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7.C24H25N7O.C20H9N9.C17H12N6.4Pd/c1-29(2,3)23-18-20-35(33-23)25-14-10-16-27(31-25)37(22-12-8-7-9-13-22)28-17-11-15-26(32-28)36-21-19-24(34-36)30(4,5)6;1-23(2,3)18-11-14-30(28-18)20-9-7-8-16(26-20)21(32)17-10-13-25-22(27-17)31-15-12-19(29-31)24(4,5)6;1-23-18-9-11-29(27-18)20-7-3-5-17(25-20)15(13-22)16-4-2-6-19(24-16)28-10-8-14(12-21)26-28;1-5-14(20-16(7-1)22-11-3-9-18-22)13-15-6-2-8-17(21-15)23-12-4-10-19-23;;;;/h7-19H,1-6H3;7-13H,1-6H3;2-9,15H;1-10H,13H2;;;;/q4*-2;4*+2.

What are the key properties of 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine?

6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine has a molecular weight of 2018.50 g/mol, XLogP of 14.74, 17 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-N-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrimidin-4-yl]methanone;1-[6-[cyano-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]methyl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(palladium(2+));2-(3H-pyrazol-3-id-2-yl)-6-[[6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]methyl]pyridine is sourced from PubChem (CID 158039849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).