3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+))

C61H47F9N15O2Pt3- — CID 159665638

IUPAC3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+))
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.Cn1cc(-c2[c-]cc(F)nc2F)nc1C(C)(C)c1nc(-c2[c-]cc(F)nc2F)cn1C.[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C21H16F4N6.C21H17F3N6.C19H14F2N3O2.3Pt/c1-21(2,19-26-13(9-30(19)3)11-5-7-15(22)28-17(11)24)20-27-14(10-31(20)4)12-6-8-16(23)29-18(12)25;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21;;;/h7-10H,1-4H3;4-11H,1-3H3;3-8,10H,1-2H3,(H,25,26);;;/q2*-2;-1;;2*+2
InChIKeyFODRHYHLJOHEFQ-UHFFFAOYSA-N
MW1778.37 g/mol
LogP11.50
Rot. Bonds12

About 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+))

3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+)) (PubChem CID 159665638) has the molecular formula C61H47F9N15O2Pt3- and a molecular weight of 1778.37 g/mol. Its IUPAC name is 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+)).

Molecular Properties

Compound Name3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+))
PubChem CID159665638
Molecular FormulaC61H47F9N15O2Pt3-
Molecular Weight1778.37 g/mol
Exact Mass1777.28
IUPAC Name3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+))
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.Cn1cc(-c2[c-]cc(F)nc2F)nc1C(C)(C)c1nc(-c2[c-]cc(F)nc2F)cn1C.[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C21H16F4N6.C21H17F3N6.C19H14F2N3O2.3Pt/c1-21(2,19-26-13(9-30(19)3)11-5-7-15(22)28-17(11)24)20-27-14(10-31(20)4)12-6-8-16(23)29-18(12)25;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21;;;/h7-10H,1-4H3;4-11H,1-3H3;3-8,10H,1-2H3,(H,25,26);;;/q2*-2;-1;;2*+2
InChIKeyFODRHYHLJOHEFQ-UHFFFAOYSA-N
XLogP11.50
TPSA198.81 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms90
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001778.37
LogP ≤ 511.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+))?
The IUPAC name of 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+)) (CID 159665638) is 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+)).
What is the SMILES notation for 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+))?
The canonical SMILES for 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+)) is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.Cn1cc(-c2[c-]cc(F)nc2F)nc1C(C)(C)c1nc(-c2[c-]cc(F)nc2F)cn1C.[Pt+2].[Pt+2].[Pt].
What is the InChIKey of 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+))?
The InChIKey is FODRHYHLJOHEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N6.C21H17F3N6.C19H14F2N3O2.3Pt/c1-21(2,19-26-13(9-30(19)3)11-5-7-15(22)28-17(11)24)20-27-14(10-31(20)4)12-6-8-16(23)29-18(12)25;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21;;;/h7-10H,1-4H3;4-11H,1-3H3;3-8,10H,1-2H3,(H,25,26);;;/q2*-2;-1;;2*+2.
What are the key properties of 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+))?
3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+)) has a molecular weight of 1778.37 g/mol, XLogP of 11.50, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;bis(platinum(2+)) is sourced from PubChem (CID 159665638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).