1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+))

C209H130F36N44Pt8 — CID 161431755

IUPAC1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+))
SMILESCC(C)(c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12.CC(C)(c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.Cc1cn[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]nc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C30H18F5N5.4C26H16F5N5.C23H13F3N8.C22H17F3N6.8Pt/c1-29(2,26-19-9-5-3-7-17(19)15-22(36-26)21-11-12-24(31)37-28(21)32)27-20-10-6-4-8-18(20)16-25(38-27)40-14-13-23(39-40)30(33,34)35;1-29(2,23-15-17-7-3-5-9-19(17)26(36-23)21-11-12-25(31)38-27(21)32)24-16-18-8-4-6-10-20(18)28(37-24)40-14-13-22(39-40)30(33,34)35;1-25(2,19-8-5-9-22(33-19)36-13-12-20(35-36)26(29,30)31)23-16-7-4-3-6-15(16)14-18(32-23)17-10-11-21(27)34-24(17)28;1-25(2,18-8-5-9-22(32-18)36-13-12-19(35-36)26(29,30)31)20-14-15-6-3-4-7-16(15)23(33-20)17-10-11-21(27)34-24(17)28;1-25(2,19-9-5-8-18(32-19)17-10-11-22(27)34-23(17)28)21-14-15-6-3-4-7-16(15)24(33-21)36-13-12-20(35-36)26(29,30)31;1-25(2,19-9-5-8-18(32-19)17-10-11-21(27)33-24(17)28)23-16-7-4-3-6-15(16)14-22(34-23)36-13-12-20(35-36)26(29,30)31;1-22(2,18-8-5-9-20(32-18)34-11-10-19(33-34)23(24,25)26)17-7-4-6-14(30-17)16-13-29-15(12-27)21(28-3)31-16;1-14-12-26-13-16(27-14)15-6-4-7-17(28-15)21(2,3)18-8-5-9-20(29-18)31-11-10-19(30-31)22(23,24)25;;;;;;;;/h2*3-10,12-13,15-16H,1-2H3;4*3-9,11-12,14H,1-2H3;4-10H,1-2H3;4-10,12H,1-3H3;;;;;;;;/q8*-2;8*+2
InChIKeyAAPIYZCGROIMIA-UHFFFAOYSA-N
MW5502.20 g/mol
LogP47.75
Rot. Bonds32

About 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+))

1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+)) (PubChem CID 161431755) has the molecular formula C209H130F36N44Pt8 and a molecular weight of 5502.20 g/mol. Its IUPAC name is 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+)).

Molecular Properties

Compound Name1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+))
PubChem CID161431755
Molecular FormulaC209H130F36N44Pt8
Molecular Weight5502.20 g/mol
Exact Mass5498.81
IUPAC Name1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+))
SMILESCC(C)(c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12.CC(C)(c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.Cc1cn[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]nc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C30H18F5N5.4C26H16F5N5.C23H13F3N8.C22H17F3N6.8Pt/c1-29(2,26-19-9-5-3-7-17(19)15-22(36-26)21-11-12-24(31)37-28(21)32)27-20-10-6-4-8-18(20)16-25(38-27)40-14-13-23(39-40)30(33,34)35;1-29(2,23-15-17-7-3-5-9-19(17)26(36-23)21-11-12-25(31)38-27(21)32)24-16-18-8-4-6-10-20(18)28(37-24)40-14-13-22(39-40)30(33,34)35;1-25(2,19-8-5-9-22(33-19)36-13-12-20(35-36)26(29,30)31)23-16-7-4-3-6-15(16)14-18(32-23)17-10-11-21(27)34-24(17)28;1-25(2,18-8-5-9-22(32-18)36-13-12-19(35-36)26(29,30)31)20-14-15-6-3-4-7-16(15)23(33-20)17-10-11-21(27)34-24(17)28;1-25(2,19-9-5-8-18(32-19)17-10-11-22(27)34-23(17)28)21-14-15-6-3-4-7-16(15)24(33-21)36-13-12-20(35-36)26(29,30)31;1-25(2,19-9-5-8-18(32-19)17-10-11-21(27)33-24(17)28)23-16-7-4-3-6-15(16)14-22(34-23)36-13-12-20(35-36)26(29,30)31;1-22(2,18-8-5-9-20(32-18)34-11-10-19(33-34)23(24,25)26)17-7-4-6-14(30-17)16-13-29-15(12-27)21(28-3)31-16;1-14-12-26-13-16(27-14)15-6-4-7-17(28-15)21(2,3)18-8-5-9-20(29-18)31-11-10-19(30-31)22(23,24)25;;;;;;;;/h2*3-10,12-13,15-16H,1-2H3;4*3-9,11-12,14H,1-2H3;4-10H,1-2H3;4-10,12H,1-3H3;;;;;;;;/q8*-2;8*+2
InChIKeyAAPIYZCGROIMIA-UHFFFAOYSA-N
XLogP47.75
TPSA505.85 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005502.20
LogP ≤ 547.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+))?
The IUPAC name of 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+)) (CID 161431755) is 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+)).
What is the SMILES notation for 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+))?
The canonical SMILES for 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+)) is CC(C)(c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cc2ccccc2c(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1cc2ccccc2c(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1)c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12.CC(C)(c1nc(-c2[c-]cc(F)nc2F)cc2ccccc12)c1nc(-n2[c-]cc(C(F)(F)F)n2)cc2ccccc12.Cc1cn[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]nc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+))?
The InChIKey is AAPIYZCGROIMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H18F5N5.4C26H16F5N5.C23H13F3N8.C22H17F3N6.8Pt/c1-29(2,26-19-9-5-3-7-17(19)15-22(36-26)21-11-12-24(31)37-28(21)32)27-20-10-6-4-8-18(20)16-25(38-27)40-14-13-23(39-40)30(33,34)35;1-29(2,23-15-17-7-3-5-9-19(17)26(36-23)21-11-12-25(31)38-27(21)32)24-16-18-8-4-6-10-20(18)28(37-24)40-14-13-22(39-40)30(33,34)35;1-25(2,19-8-5-9-22(33-19)36-13-12-20(35-36)26(29,30)31)23-16-7-4-3-6-15(16)14-18(32-23)17-10-11-21(27)34-24(17)28;1-25(2,18-8-5-9-22(32-18)36-13-12-19(35-36)26(29,30)31)20-14-15-6-3-4-7-16(15)23(33-20)17-10-11-21(27)34-24(17)28;1-25(2,19-9-5-8-18(32-19)17-10-11-22(27)34-23(17)28)21-14-15-6-3-4-7-16(15)24(33-21)36-13-12-20(35-36)26(29,30)31;1-25(2,19-9-5-8-18(32-19)17-10-11-21(27)33-24(17)28)23-16-7-4-3-6-15(16)14-22(34-23)36-13-12-20(35-36)26(29,30)31;1-22(2,18-8-5-9-20(32-18)34-11-10-19(33-34)23(24,25)26)17-7-4-6-14(30-17)16-13-29-15(12-27)21(28-3)31-16;1-14-12-26-13-16(27-14)15-6-4-7-17(28-15)21(2,3)18-8-5-9-20(29-18)31-11-10-19(30-31)22(23,24)25;;;;;;;;/h2*3-10,12-13,15-16H,1-2H3;4*3-9,11-12,14H,1-2H3;4-10H,1-2H3;4-10,12H,1-3H3;;;;;;;;/q8*-2;8*+2.
What are the key properties of 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+))?
1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+)) has a molecular weight of 5502.20 g/mol, XLogP of 47.75, 32 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,6-difluoro-4H-pyridin-4-id-3-yl)isoquinolin-1-yl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-3-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]isoquinolin-3-yl]propan-2-yl]isoquinoline;1-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]isoquinoline;5-isocyano-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide-6-carbonitrile;5-methyl-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyrazin-2-ide;octakis(platinum(2+)) is sourced from PubChem (CID 161431755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).