2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide
C130H89F24N37Pt6 — CID 157216298
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide
SMILESCC(C)(c1cccc(-c2[c-]c(F)nc(F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cnc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cnc(F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1n[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)cn1.Cc1nc[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1nc[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C22H14F6N6.C22H14F3N7.2C22H17F3N6.C21H13F5N6.C21H14F4N6.6Pt/c1-20(2,16-7-4-8-18(32-16)34-12-10-17(33-34)21(23,24)25)15-6-3-5-13(30-15)14-9-11-29-19(31-14)22(26,27)28;1-21(2,16-7-4-6-14(28-16)15-10-12-27-20(26-3)29-15)17-8-5-9-19(30-17)32-13-11-18(31-32)22(23,24)25;1-14-26-12-10-16(27-14)15-6-4-7-17(28-15)21(2,3)18-8-5-9-20(29-18)31-13-11-19(30-31)22(23,24)25;1-14-26-12-15(13-27-14)16-6-4-7-17(28-16)21(2,3)18-8-5-9-20(29-18)31-11-10-19(30-31)22(23,24)25;1-20(2,14-6-3-5-12(27-14)13-11-17(22)30-19(23)28-13)15-7-4-8-18(29-15)32-10-9-16(31-32)21(24,25)26;1-20(2,15-6-3-5-13(27-15)14-9-11-26-19(22)28-14)16-7-4-8-18(29-16)31-12-10-17(30-31)21(23,24)25;;;;;;/h3-8,10-11H,1-2H3;4-9,11-12H,1-2H3;4-9,11-12H,1-3H3;4-10,12H,1-3H3;3-9H,1-2H3;3-8,10-11H,1-2H3;;;;;;/q6*-2;6*+2
InChIKeyQUKATDJVQPIOOO-UHFFFAOYSA-N
MW3795.82 g/mol
LogP26.98
Rot. Bonds24
About 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide
2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide (PubChem CID 157216298) has the molecular formula C130H89F24N37Pt6 and a molecular weight of 3795.82 g/mol. Its IUPAC name is 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide.
Molecular Properties
| Compound Name | 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide |
|---|---|
| PubChem CID | 157216298 |
| Molecular Formula | C130H89F24N37Pt6 |
| Molecular Weight | 3795.82 g/mol |
| Exact Mass | 3793.56 |
| IUPAC Name | 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide |
| SMILES | CC(C)(c1cccc(-c2[c-]c(F)nc(F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cnc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cnc(F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1n[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)cn1.Cc1nc[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1nc[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C22H14F6N6.C22H14F3N7.2C22H17F3N6.C21H13F5N6.C21H14F4N6.6Pt/c1-20(2,16-7-4-8-18(32-16)34-12-10-17(33-34)21(23,24)25)15-6-3-5-13(30-15)14-9-11-29-19(31-14)22(26,27)28;1-21(2,16-7-4-6-14(28-16)15-10-12-27-20(26-3)29-15)17-8-5-9-19(30-17)32-13-11-18(31-32)22(23,24)25;1-14-26-12-10-16(27-14)15-6-4-7-17(28-15)21(2,3)18-8-5-9-20(29-18)31-13-11-19(30-31)22(23,24)25;1-14-26-12-15(13-27-14)16-6-4-7-17(28-16)21(2,3)18-8-5-9-20(29-18)31-11-10-19(30-31)22(23,24)25;1-20(2,14-6-3-5-12(27-14)13-11-17(22)30-19(23)28-13)15-7-4-8-18(29-15)32-10-9-16(31-32)21(24,25)26;1-20(2,15-6-3-5-13(27-15)14-9-11-26-19(22)28-14)16-7-4-8-18(29-16)31-12-10-17(30-31)21(23,24)25;;;;;;/h3-8,10-11H,1-2H3;4-9,11-12H,1-2H3;4-9,11-12H,1-3H3;4-10,12H,1-3H3;3-9H,1-2H3;3-8,10-11H,1-2H3;;;;;;/q6*-2;6*+2 |
| InChIKey | QUKATDJVQPIOOO-UHFFFAOYSA-N |
| XLogP | 26.98 |
| TPSA | 420.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 197 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3795.82 |
| LogP ≤ 5 | 26.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide?
The IUPAC name of 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide (CID 157216298) is 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide.
What is the SMILES notation for 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide?
The canonical SMILES for 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide is CC(C)(c1cccc(-c2[c-]c(F)nc(F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cnc(C(F)(F)F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cnc(F)n2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1n[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)cn1.Cc1nc[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1nc[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide?
The InChIKey is QUKATDJVQPIOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N6.C22H14F3N7.2C22H17F3N6.C21H13F5N6.C21H14F4N6.6Pt/c1-20(2,16-7-4-8-18(32-16)34-12-10-17(33-34)21(23,24)25)15-6-3-5-13(30-15)14-9-11-29-19(31-14)22(26,27)28;1-21(2,16-7-4-6-14(28-16)15-10-12-27-20(26-3)29-15)17-8-5-9-19(30-17)32-13-11-18(31-32)22(23,24)25;1-14-26-12-10-16(27-14)15-6-4-7-17(28-15)21(2,3)18-8-5-9-20(29-18)31-13-11-19(30-31)22(23,24)25;1-14-26-12-15(13-27-14)16-6-4-7-17(28-16)21(2,3)18-8-5-9-20(29-18)31-11-10-19(30-31)22(23,24)25;1-20(2,14-6-3-5-12(27-14)13-11-17(22)30-19(23)28-13)15-7-4-8-18(29-15)32-10-9-16(31-32)21(24,25)26;1-20(2,15-6-3-5-13(27-15)14-9-11-26-19(22)28-14)16-7-4-8-18(29-16)31-12-10-17(30-31)21(23,24)25;;;;;;/h3-8,10-11H,1-2H3;4-9,11-12H,1-2H3;4-9,11-12H,1-3H3;4-10,12H,1-3H3;3-9H,1-2H3;3-8,10-11H,1-2H3;;;;;;/q6*-2;6*+2.
What are the key properties of 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide?
2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide has a molecular weight of 3795.82 g/mol, XLogP of 26.98, 24 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide;2-methyl-5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5H-pyrimidin-5-ide is sourced from PubChem (CID 157216298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157216298 — identifiers, structure, computed properties (public domain)
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