2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+))

C104H101F6N27Pt4 — CID 157061977

IUPAC2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+))
SMILESCC(C)(C)c1c[c-]n(-c2cccc(CCc3cccc(-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.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)C(C)(C)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(C(C)(C)C(C)(C)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C30H31N7.C26H30N6.C24H20F6N6.C24H20N8.4Pt/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;1-25(2,3)21-15-17-31(29-21)23-11-7-9-19(27-23)13-14-20-10-8-12-24(28-20)32-18-16-22(30-32)26(4,5)6;1-21(2,15-7-5-9-19(31-15)35-13-11-17(33-35)23(25,26)27)22(3,4)16-8-6-10-20(32-16)36-14-12-18(34-36)24(28,29)30;1-23(2,18-8-6-10-21(27-18)31-14-12-17(16-25)29-31)24(3,4)19-9-7-11-22(28-19)32-15-13-20(26-5)30-32;;;;/h7-19H,1-6H3;7-12,15-16H,13-14H2,1-6H3;5-12H,1-4H3;6-13H,1-4H3;;;;/q4*-2;4*+2
InChIKeyMJVXKOBWIFKDDL-UHFFFAOYSA-N
MW2623.44 g/mol
LogP21.20
Rot. Bonds20

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]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+))

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+)) (PubChem CID 157061977) has the molecular formula C104H101F6N27Pt4 and a molecular weight of 2623.44 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]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+)).

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)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+))
PubChem CID157061977
Molecular FormulaC104H101F6N27Pt4
Molecular Weight2623.44 g/mol
Exact Mass2621.72
IUPAC Name2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+))
SMILESCC(C)(C)c1c[c-]n(-c2cccc(CCc3cccc(-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.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)C(C)(C)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(C(C)(C)C(C)(C)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C30H31N7.C26H30N6.C24H20F6N6.C24H20N8.4Pt/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;1-25(2,3)21-15-17-31(29-21)23-11-7-9-19(27-23)13-14-20-10-8-12-24(28-20)32-18-16-22(30-32)26(4,5)6;1-21(2,15-7-5-9-19(31-15)35-13-11-17(33-35)23(25,26)27)22(3,4)16-8-6-10-20(32-16)36-14-12-18(34-36)24(28,29)30;1-23(2,18-8-6-10-21(27-18)31-14-12-17(16-25)29-31)24(3,4)19-9-7-11-22(28-19)32-15-13-20(26-5)30-32;;;;/h7-19H,1-6H3;7-12,15-16H,13-14H2,1-6H3;5-12H,1-4H3;6-13H,1-4H3;;;;/q4*-2;4*+2
InChIKeyMJVXKOBWIFKDDL-UHFFFAOYSA-N
XLogP21.20
TPSA277.07 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms141
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002623.44
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+)) 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)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+))?
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]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+)) (CID 157061977) 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]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+)).
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]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+))?
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]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+)) is CC(C)(C)c1c[c-]n(-c2cccc(CCc3cccc(-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.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)C(C)(C)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(C(C)(C)C(C)(C)c3cccc(-n4[c-]cc(C#N)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)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+))?
The InChIKey is MJVXKOBWIFKDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7.C26H30N6.C24H20F6N6.C24H20N8.4Pt/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;1-25(2,3)21-15-17-31(29-21)23-11-7-9-19(27-23)13-14-20-10-8-12-24(28-20)32-18-16-22(30-32)26(4,5)6;1-21(2,15-7-5-9-19(31-15)35-13-11-17(33-35)23(25,26)27)22(3,4)16-8-6-10-20(32-16)36-14-12-18(34-36)24(28,29)30;1-23(2,18-8-6-10-21(27-18)31-14-12-17(16-25)29-31)24(3,4)19-9-7-11-22(28-19)32-15-13-20(26-5)30-32;;;;/h7-19H,1-6H3;7-12,15-16H,13-14H2,1-6H3;5-12H,1-4H3;6-13H,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)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+))?
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+)) has a molecular weight of 2623.44 g/mol, XLogP of 21.20, 20 rotatable bonds, 0 hydrogen bond donors, and 26 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]ethyl]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;2-[2,3-dimethyl-3-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]butan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;1-[6-[3-[6-(3-isocyano-5H-pyrazol-5-id-1-yl)-2-pyridinyl]-2,3-dimethylbutan-2-yl]-2-pyridinyl]-5H-pyrazol-5-ide-3-carbonitrile;tetrakis(platinum(2+)) is sourced from PubChem (CID 157061977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).