2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide

C112H78F19N27OPt5 — CID 157455046

IUPAC2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide
SMILESCC(C)(c1cccc(-c2[c-]ccnc2C(F)(F)F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]ccnc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]nccn2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.COc1ncc[c-]c1-c1cccc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)n1.[C-]#[N+]c1ncc[c-]c1-c1cccc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C23H15F6N5.C23H15F3N6.C23H18F3N5O.C22H15F4N5.C21H15F3N6.5Pt/c1-21(2,17-9-4-10-19(32-17)34-13-11-18(33-34)22(24,25)26)16-8-3-7-15(31-16)14-6-5-12-30-20(14)23(27,28)29;1-22(2,17-9-4-8-16(29-17)15-7-6-13-28-21(15)27-3)18-10-5-11-20(30-18)32-14-12-19(31-32)23(24,25)26;1-22(2,17-9-4-8-16(28-17)15-7-6-13-27-21(15)32-3)18-10-5-11-20(29-18)31-14-12-19(30-31)23(24,25)26;1-21(2,16-8-3-7-15(28-16)14-6-5-12-27-20(14)23)17-9-4-10-19(29-17)31-13-11-18(30-31)22(24,25)26;1-20(2,16-6-3-5-14(27-16)15-13-25-10-11-26-15)17-7-4-8-19(28-17)30-12-9-18(29-30)21(22,23)24;;;;;/h3-5,7-12H,1-2H3;4-6,8-13H,1-2H3;4-6,8-13H,1-3H3;3-5,7-12H,1-2H3;3-11H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyVNSXDVNLBRUKNS-UHFFFAOYSA-N
MW3154.40 g/mol
LogP24.45
Rot. Bonds21

About 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide

2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide (PubChem CID 157455046) has the molecular formula C112H78F19N27OPt5 and a molecular weight of 3154.40 g/mol. Its IUPAC name is 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide.

Molecular Properties

Compound Name2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide
PubChem CID157455046
Molecular FormulaC112H78F19N27OPt5
Molecular Weight3154.40 g/mol
Exact Mass3152.48
IUPAC Name2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide
SMILESCC(C)(c1cccc(-c2[c-]ccnc2C(F)(F)F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]ccnc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]nccn2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.COc1ncc[c-]c1-c1cccc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)n1.[C-]#[N+]c1ncc[c-]c1-c1cccc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C23H15F6N5.C23H15F3N6.C23H18F3N5O.C22H15F4N5.C21H15F3N6.5Pt/c1-21(2,17-9-4-10-19(32-17)34-13-11-18(33-34)22(24,25)26)16-8-3-7-15(31-16)14-6-5-12-30-20(14)23(27,28)29;1-22(2,17-9-4-8-16(29-17)15-7-6-13-28-21(15)27-3)18-10-5-11-20(30-18)32-14-12-19(31-32)23(24,25)26;1-22(2,17-9-4-8-16(28-17)15-7-6-13-27-21(15)32-3)18-10-5-11-20(29-18)31-14-12-19(30-31)23(24,25)26;1-21(2,16-8-3-7-15(28-16)14-6-5-12-27-20(14)23)17-9-4-10-19(29-17)31-13-11-18(30-31)22(24,25)26;1-20(2,16-6-3-5-14(27-16)15-13-25-10-11-26-15)17-7-4-8-19(28-17)30-12-9-18(29-30)21(22,23)24;;;;;/h3-5,7-12H,1-2H3;4-6,8-13H,1-2H3;4-6,8-13H,1-3H3;3-5,7-12H,1-2H3;3-11H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyVNSXDVNLBRUKNS-UHFFFAOYSA-N
XLogP24.45
TPSA308.93 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003154.40
LogP ≤ 524.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide with MolForge

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Launch Full Analysis

Related Compounds

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-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
CID 57852366
bis(palladium(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[tris[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]pyridine
CID 58756102
2-[bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;bis(platinum(2+))
CID 58756140
CID 58756157
CID 58756157
bis(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[tris[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]pyridine
CID 59342925
4,6-difluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;4-fluoro-5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;5-fluoro-6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;5-fluoro-6-methyl-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-fluoro-5-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-2-ide;pentakis(platinum(2+))
CID 157054697
1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;tetrakis(platinum(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 157075067
3-[6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluorobenzene-4-ide-1-carbonitrile;2,6-difluoro-3-[4-methyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethyl-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-4-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-fluoro-2-pyridinyl]propan-2-yl]-4-fluoro-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-[2,6-dimethyl-4-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]heptan-4-yl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;pentakis(platinum(2+))
CID 157080309
2,6-difluoro-3-[6-[2-[6-(2-fluoro-4H-imidazol-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(4H-imidazol-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(2-methyl-4H-imidazol-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-imidazol-4-ide-2-carbonitrile;2,6-difluoro-3-[6-[2-[6-[2-(trifluoromethyl)-4H-imidazol-4-id-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+))
CID 157088317
CID 157174832
CID 157174832
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide?
The IUPAC name of 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide (CID 157455046) is 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide.
What is the SMILES notation for 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide?
The canonical SMILES for 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide is CC(C)(c1cccc(-c2[c-]ccnc2C(F)(F)F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]ccnc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]nccn2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.COc1ncc[c-]c1-c1cccc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)n1.[C-]#[N+]c1ncc[c-]c1-c1cccc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide?
The InChIKey is VNSXDVNLBRUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N5.C23H15F3N6.C23H18F3N5O.C22H15F4N5.C21H15F3N6.5Pt/c1-21(2,17-9-4-10-19(32-17)34-13-11-18(33-34)22(24,25)26)16-8-3-7-15(31-16)14-6-5-12-30-20(14)23(27,28)29;1-22(2,17-9-4-8-16(29-17)15-7-6-13-28-21(15)27-3)18-10-5-11-20(30-18)32-14-12-19(31-32)23(24,25)26;1-22(2,17-9-4-8-16(28-17)15-7-6-13-27-21(15)32-3)18-10-5-11-20(29-18)31-14-12-19(30-31)23(24,25)26;1-21(2,16-8-3-7-15(28-16)14-6-5-12-27-20(14)23)17-9-4-10-19(29-17)31-13-11-18(30-31)22(24,25)26;1-20(2,16-6-3-5-14(27-16)15-13-25-10-11-26-15)17-7-4-8-19(28-17)30-12-9-18(29-30)21(22,23)24;;;;;/h3-5,7-12H,1-2H3;4-6,8-13H,1-2H3;4-6,8-13H,1-3H3;3-5,7-12H,1-2H3;3-11H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide?
2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide has a molecular weight of 3154.40 g/mol, XLogP of 24.45, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-methoxy-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+));3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;2-(trifluoromethyl)-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide is sourced from PubChem (CID 157455046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).