Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)

C₉₆H₁₀₅F₃N₃₂OPt₄ — CID 158411399

About Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)

Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (PubChem CID 158411399) has the molecular formula C₉₆H₁₀₅F₃N₃₂OPt₄ and a molecular weight of 2560.42 g/mol. Its IUPAC name is bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

Molecular Properties

• Compound Name: Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
• PubChem CID: 158411399
• Molecular Formula: C₉₆H₁₀₅F₃N₃₂OPt₄
• Molecular Weight: 2560.42 g/mol
• Exact Mass: 2558.77
• IUPAC Name: bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
• SMILES: COc1cc(-c2cc(C)n[n-]2)ncn1.Cc1cc(-c2[n-]nc3c2C2CCC3(C)C2(C)C)ncn1.Cc1cc(-c2[n-]nc3c2C2CCC3(C)C2(C)C)ncn1.Cc1cc(-c2[n-]nc3c2CCCC3(C)C)ncn1.Cc1cc(-c2[n-]nc3c2CCCC3(C)C)ncn1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncn1.Cc1cc(-c2cc(C)n[n-]2)ncn1.Cc1cc(-c2cc(C)n[n-]2)ncn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/2C16H19N4.2C14H17N4.C9H6F3N4.C9H9N4O.2C9H9N4.4Pt/c2*1-9-7-11(18-8-17-9)13-12-10-5-6-16(4,15(10,2)3)14(12)20-19-13;2*1-9-7-11(16-8-15-9)12-10-5-4-6-14(2,3)13(10)18-17-12;1-5-2-6(14-4-13-5)7-3-8(16-15-7)9(10,11)12;1-6-3-8(13-12-6)7-4-9(14-2)11-5-10-7;2*1-6-3-8(11-5-10-6)9-4-7(2)12-13-9;;;;/h2*7-8,10H,5-6H2,1-4H3;2*7-8H,4-6H2,1-3H3;2-4H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;;;;/q8*-1;4*+2
• InChIKey: GZJAIVUFMKVUKX-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 431.39 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 9
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2560.42
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The IUPAC name of Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (CID 158411399) is bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

What is the SMILES notation for Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The canonical SMILES for Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is COc1cc(-c2cc(C)n[n-]2)ncn1.Cc1cc(-c2[n-]nc3c2C2CCC3(C)C2(C)C)ncn1.Cc1cc(-c2[n-]nc3c2C2CCC3(C)C2(C)C)ncn1.Cc1cc(-c2[n-]nc3c2CCCC3(C)C)ncn1.Cc1cc(-c2[n-]nc3c2CCCC3(C)C)ncn1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncn1.Cc1cc(-c2cc(C)n[n-]2)ncn1.Cc1cc(-c2cc(C)n[n-]2)ncn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The InChIKey is GZJAIVUFMKVUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19N4.2C14H17N4.C9H6F3N4.C9H9N4O.2C9H9N4.4Pt/c2*1-9-7-11(18-8-17-9)13-12-10-5-6-16(4,15(10,2)3)14(12)20-19-13;2*1-9-7-11(16-8-15-9)12-10-5-4-6-14(2,3)13(10)18-17-12;1-5-2-6(14-4-13-5)7-3-8(16-15-7)9(10,11)12;1-6-3-8(13-12-6)7-4-9(14-2)11-5-10-7;2*1-6-3-8(11-5-10-6)9-4-7(2)12-13-9;;;;/h2*7-8,10H,5-6H2,1-4H3;2*7-8H,4-6H2,1-3H3;2-4H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;;;;/q8*-1;4*+2.

What are the key properties of Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) has a molecular weight of 2560.42 g/mol, XLogP of 15.65, 9 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(7,7-dimethyl-3-(6-methylpyrimidin-4-yl)-5,6-dihydro-4H-indazol-2-ide);4-methoxy-6-(5-methylpyrazol-2-id-3-yl)pyrimidine;bis(4-methyl-6-(5-methylpyrazol-2-id-3-yl)pyrimidine);4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-(6-methylpyrimidin-4-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is sourced from PubChem (CID 158411399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158411399 — identifiers, structure, computed properties (public domain)

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