2,6-difluoro-3-[4-methoxy-6-[2-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(6-methyl-3H-pyridin-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(4-phenylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]isoquinoline;3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyrazol-1-yl]-9-phenyl-2H-carbazol-2-ide;pentakis(platinum(2+))
C134H95F13N22OPt5 — CID 159429667
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2,6-difluoro-3-[4-methoxy-6-[2-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(6-methyl-3H-pyridin-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(4-phenylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]isoquinoline;3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyrazol-1-yl]-9-phenyl-2H-carbazol-2-ide;pentakis(platinum(2+))
2,6-difluoro-3-[4-methoxy-6-[2-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(6-methyl-3H-pyridin-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(4-phenylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]isoquinoline;3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyrazol-1-yl]-9-phenyl-2H-carbazol-2-ide;pentakis(platinum(2+)) (PubChem CID 159429667) has the molecular formula C134H95F13N22OPt5 and a molecular weight of 3251.75 g/mol. Its IUPAC name is 2,6-difluoro-3-[4-methoxy-6-[2-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(6-methyl-3H-pyridin-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(4-phenylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]isoquinoline;3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyrazol-1-yl]-9-phenyl-2H-carbazol-2-ide;pentakis(platinum(2+)).
Molecular Properties
| Compound Name | 2,6-difluoro-3-[4-methoxy-6-[2-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(6-methyl-3H-pyridin-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(4-phenylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]isoquinoline;3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyrazol-1-yl]-9-phenyl-2H-carbazol-2-ide;pentakis(platinum(2+)) |
|---|---|
| PubChem CID | 159429667 |
| Molecular Formula | C134H95F13N22OPt5 |
| Molecular Weight | 3251.75 g/mol |
| Exact Mass | 3249.61 |
| IUPAC Name | 2,6-difluoro-3-[4-methoxy-6-[2-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(6-methyl-3H-pyridin-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[1-(4-phenylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]isoquinoline;3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyrazol-1-yl]-9-phenyl-2H-carbazol-2-ide;pentakis(platinum(2+)) |
| SMILES | CC(C)(c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1)c1ccn(-c2[c-]cccc2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1ccn(-c2[c-]cc(-c3ccccc3)cc2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1ccn(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)n1.COc1cc(-c2[c-]cc(F)nc2F)nc(C(C)(C)c2ccn(-c3[c-]cc(C(F)(F)F)cc3)n2)c1.Cc1cc[c-]c(-n2ccc(C(C)(C)c3cccc(-c4[c-]cc(F)nc4F)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C34H23F2N5.C28H20F2N4.C26H18F2N4.C24H17F5N4O.C22H17F2N5.5Pt/c1-34(2,30-14-8-12-27(37-30)25-16-18-32(35)38-33(25)36)31-19-20-40(39-31)23-15-17-29-26(21-23)24-11-6-7-13-28(24)41(29)22-9-4-3-5-10-22;1-28(2,24-10-6-9-23(31-24)22-15-16-26(29)32-27(22)30)25-17-18-34(33-25)21-13-11-20(12-14-21)19-7-4-3-5-8-19;1-26(2,21-14-15-32(31-21)18-9-4-3-5-10-18)22-16-17-8-6-7-11-19(17)24(29-22)20-12-13-23(27)30-25(20)28;1-23(2,19-10-11-33(32-19)15-6-4-14(5-7-15)24(27,28)29)20-13-16(34-3)12-18(30-20)17-8-9-21(25)31-22(17)26;1-14-6-4-9-20(25-14)29-13-12-18(28-29)22(2,3)17-8-5-7-16(26-17)15-10-11-19(23)27-21(15)24;;;;;/h3-14,17-21H,1-2H3;3-13,16-18H,1-2H3;3-9,11,13-16H,1-2H3;4-6,9-13H,1-3H3;4-8,11-13H,1-3H3;;;;;/q5*-2;5*+2 |
| InChIKey | HDKJXNJOPVROIV-UHFFFAOYSA-N |
| XLogP | 29.30 |
| TPSA | 245.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 175 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3251.75 |
| LogP ≤ 5 | 29.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159429667 — identifiers, structure, computed properties (public domain)
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