2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine

C86H88F6N34Pt4 — CID 158767317

IUPAC2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine
SMILESCC(C)(C)c1c[c-]n(-c2cncc(C(C)(C)c3cncc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(C)c1c[c-]n(-c2ncnc(C(C)(C)c3ncnc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1ccnc(-n2[c-]cc(C(F)(F)F)n2)n1)c1ccnc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1c[c-]n(-c2cncc(C(C)(C)c3cncc(-n4[c-]cc(C)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C25H30N8.C23H28N10.C19H12F6N8.C19H18N8.4Pt/c1-23(2,3)17-9-11-32(30-17)21-15-26-13-19(28-21)25(7,8)20-14-27-16-22(29-20)33-12-10-18(31-33)24(4,5)6;1-21(2,3)15-9-11-32(30-15)19-26-13-24-17(28-19)23(7,8)18-25-14-27-20(29-18)33-12-10-16(31-33)22(4,5)6;1-17(2,11-3-7-26-15(28-11)32-9-5-13(30-32)18(20,21)22)12-4-8-27-16(29-12)33-10-6-14(31-33)19(23,24)25;1-13-5-7-26(24-13)17-11-20-9-15(22-17)19(3,4)16-10-21-12-18(23-16)27-8-6-14(2)25-27;;;;/h9-10,13-16H,1-8H3;9-10,13-14H,1-8H3;3-8H,1-2H3;5-6,9-12H,1-4H3;;;;/q4*-2;4*+2
InChIKeyWMUTXYMSTCROJY-UHFFFAOYSA-N
MW2492.19 g/mol
LogP12.88
Rot. Bonds16

About 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine (PubChem CID 158767317) has the molecular formula C86H88F6N34Pt4 and a molecular weight of 2492.19 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)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine.

Molecular Properties

Compound Name2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine
PubChem CID158767317
Molecular FormulaC86H88F6N34Pt4
Molecular Weight2492.19 g/mol
Exact Mass2490.64
IUPAC Name2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine
SMILESCC(C)(C)c1c[c-]n(-c2cncc(C(C)(C)c3cncc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(C)c1c[c-]n(-c2ncnc(C(C)(C)c3ncnc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1ccnc(-n2[c-]cc(C(F)(F)F)n2)n1)c1ccnc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1c[c-]n(-c2cncc(C(C)(C)c3cncc(-n4[c-]cc(C)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C25H30N8.C23H28N10.C19H12F6N8.C19H18N8.4Pt/c1-23(2,3)17-9-11-32(30-17)21-15-26-13-19(28-21)25(7,8)20-14-27-16-22(29-20)33-12-10-18(31-33)24(4,5)6;1-21(2,3)15-9-11-32(30-15)19-26-13-24-17(28-19)23(7,8)18-25-14-27-20(29-18)33-12-10-16(31-33)22(4,5)6;1-17(2,11-3-7-26-15(28-11)32-9-5-13(30-32)18(20,21)22)12-4-8-27-16(29-12)33-10-6-14(31-33)19(23,24)25;1-13-5-7-26(24-13)17-11-20-9-15(22-17)19(3,4)16-10-21-12-18(23-16)27-8-6-14(2)25-27;;;;/h9-10,13-16H,1-8H3;9-10,13-14H,1-8H3;3-8H,1-2H3;5-6,9-12H,1-4H3;;;;/q4*-2;4*+2
InChIKeyWMUTXYMSTCROJY-UHFFFAOYSA-N
XLogP12.88
TPSA374.58 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.19
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine with MolForge

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Related Compounds

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)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine?
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)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine (CID 158767317) is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine.
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)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine?
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)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine is CC(C)(C)c1c[c-]n(-c2cncc(C(C)(C)c3cncc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(C)c1c[c-]n(-c2ncnc(C(C)(C)c3ncnc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1ccnc(-n2[c-]cc(C(F)(F)F)n2)n1)c1ccnc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1c[c-]n(-c2cncc(C(C)(C)c3cncc(-n4[c-]cc(C)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+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)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine?
The InChIKey is WMUTXYMSTCROJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8.C23H28N10.C19H12F6N8.C19H18N8.4Pt/c1-23(2,3)17-9-11-32(30-17)21-15-26-13-19(28-21)25(7,8)20-14-27-16-22(29-20)33-12-10-18(31-33)24(4,5)6;1-21(2,3)15-9-11-32(30-15)19-26-13-24-17(28-19)23(7,8)18-25-14-27-20(29-18)33-12-10-16(31-33)22(4,5)6;1-17(2,11-3-7-26-15(28-11)32-9-5-13(30-32)18(20,21)22)12-4-8-27-16(29-12)33-10-6-14(31-33)19(23,24)25;1-13-5-7-26(24-13)17-11-20-9-15(22-17)19(3,4)16-10-21-12-18(23-16)27-8-6-14(2)25-27;;;;/h9-10,13-16H,1-8H3;9-10,13-14H,1-8H3;3-8H,1-2H3;5-6,9-12H,1-4H3;;;;/q4*-2;4*+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)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine?
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine has a molecular weight of 2492.19 g/mol, XLogP of 12.88, 16 rotatable bonds, 0 hydrogen bond donors, and 34 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)pyrazin-2-yl]propan-2-yl]pyrazine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-[2-[4-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-1,3,5-triazin-2-yl]propan-2-yl]-1,3,5-triazine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methyl-5H-pyrazol-5-id-1-yl)pyrazin-2-yl]propan-2-yl]pyrazine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-4-[2-[2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyrimidin-4-yl]propan-2-yl]pyrimidine is sourced from PubChem (CID 158767317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).