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

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 Name2,4-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 CID157216298
Molecular FormulaC130H89F24N37Pt6
Molecular Weight3795.82 g/mol
Exact Mass3793.56
IUPAC Name2,4-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
XLogP26.98
TPSA420.64 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003795.82
LogP ≤ 526.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57604039
platinum(2+);2-[4-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 57621999
CID 57622675
CID 57622675
2-[4,5-bis(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-6-[2-[6-[4-fluoro-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57622729
2-[diphenyl-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum(2+)
CID 57622825
2-[4,5-bis(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-6-[2-[6-[4,5-bis(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57694549
3-phenyl-6-[2-[5-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum(2+)
CID 57739627
3-(6-methyl-2-pyridinyl)-6-[2-[5-(6-methyl-2-pyridinyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum(2+)
CID 57739657
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-3-[4-(trifluoromethyl)phenyl]pyridine;platinum(2+)
CID 57739669
3-phenyl-6-[1-[5-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]cyclopentyl]-2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum(2+)
CID 57739694
platinum(2+);2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 57739706
6-[diphenyl-[5-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-3-phenyl-2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;platinum(2+)
CID 57739727

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).