N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

C195H166F3N19O17S6 — CID 160584597

IUPACN-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
SMILESCC1(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2nc(-c3ccccc3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2C(=O)CC1c1ccccc12.COc1cccc(-c2csc(NC(=O)C3(C)CC4C(=O)CC3c3ccccc34)n2)c1.Cc1cccc(-c2csc(NC(=O)C3(C)CC4C(=O)CC3c3ccccc34)n2)c1
InChIInChI=1S/2C27H23N3O2.C24H19N3O2S.C24H22N2O3S.C24H22N2O2S.C23H18F2N2O2S.C23H19FN2O2S.C23H20N2O2S/c2*1-27(14-21-18-10-4-5-11-19(18)22(27)13-24(21)31)25(32)30-26-28-15-23(29-26)20-12-6-8-16-7-2-3-9-17(16)20;1-24(11-18-16-7-2-3-8-17(16)19(24)10-21(18)28)22(29)27-23-26-20(13-30-23)15-6-4-5-14(9-15)12-25;1-24(12-18-16-8-3-4-9-17(16)19(24)11-21(18)27)22(28)26-23-25-20(13-30-23)14-6-5-7-15(10-14)29-2;1-14-6-5-7-15(10-14)20-13-29-23(25-20)26-22(28)24(2)12-18-16-8-3-4-9-17(16)19(24)11-21(18)27;1-23(10-15-13-4-2-3-5-14(13)16(23)9-20(15)28)21(29)27-22-26-19(11-30-22)12-6-7-17(24)18(25)8-12;1-23(11-17-15-7-2-3-8-16(15)18(23)10-20(17)27)21(28)26-22-25-19(12-29-22)13-5-4-6-14(24)9-13;1-23(12-17-15-9-5-6-10-16(15)18(23)11-20(17)26)21(27)25-22-24-19(13-28-22)14-7-3-2-4-8-14/h2*2-12,15,21-22H,13-14H2,1H3,(H2,28,29,30,32);2-9,13,18-19H,10-11H2,1H3,(H,26,27,29);3-10,13,18-19H,11-12H2,1-2H3,(H,25,26,28);3-10,13,18-19H,11-12H2,1-2H3,(H,25,26,28);2-8,11,15-16H,9-10H2,1H3,(H,26,27,29);2-9,12,17-18H,10-11H2,1H3,(H,25,26,28);2-10,13,17-18H,11-12H2,1H3,(H,24,25,27)
InChIKeyRCFPONQCIBSDPU-UHFFFAOYSA-N
MW3296.98 g/mol
LogP41.44
Rot. Bonds25

About N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (PubChem CID 160584597) has the molecular formula C195H166F3N19O17S6 and a molecular weight of 3296.98 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
PubChem CID160584597
Molecular FormulaC195H166F3N19O17S6
Molecular Weight3296.98 g/mol
Exact Mass3294.10
IUPAC NameN-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
SMILESCC1(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2nc(-c3ccccc3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2C(=O)CC1c1ccccc12.COc1cccc(-c2csc(NC(=O)C3(C)CC4C(=O)CC3c3ccccc34)n2)c1.Cc1cccc(-c2csc(NC(=O)C3(C)CC4C(=O)CC3c3ccccc34)n2)c1
InChIInChI=1S/2C27H23N3O2.C24H19N3O2S.C24H22N2O3S.C24H22N2O2S.C23H18F2N2O2S.C23H19FN2O2S.C23H20N2O2S/c2*1-27(14-21-18-10-4-5-11-19(18)22(27)13-24(21)31)25(32)30-26-28-15-23(29-26)20-12-6-8-16-7-2-3-9-17(16)20;1-24(11-18-16-7-2-3-8-17(16)19(24)10-21(18)28)22(29)27-23-26-20(13-30-23)15-6-4-5-14(9-15)12-25;1-24(12-18-16-8-3-4-9-17(16)19(24)11-21(18)27)22(28)26-23-25-20(13-30-23)14-6-5-7-15(10-14)29-2;1-14-6-5-7-15(10-14)20-13-29-23(25-20)26-22(28)24(2)12-18-16-8-3-4-9-17(16)19(24)11-21(18)27;1-23(10-15-13-4-2-3-5-14(13)16(23)9-20(15)28)21(29)27-22-26-19(11-30-22)12-6-7-17(24)18(25)8-12;1-23(11-17-15-7-2-3-8-16(15)18(23)10-20(17)27)21(28)26-22-25-19(12-29-22)13-5-4-6-14(24)9-13;1-23(12-17-15-9-5-6-10-16(15)18(23)11-20(17)26)21(27)25-22-24-19(13-28-22)14-7-3-2-4-8-14/h2*2-12,15,21-22H,13-14H2,1H3,(H2,28,29,30,32);2-9,13,18-19H,10-11H2,1H3,(H,26,27,29);3-10,13,18-19H,11-12H2,1-2H3,(H,25,26,28);3-10,13,18-19H,11-12H2,1-2H3,(H,25,26,28);2-8,11,15-16H,9-10H2,1H3,(H,26,27,29);2-9,12,17-18H,10-11H2,1H3,(H,25,26,28);2-10,13,17-18H,11-12H2,1H3,(H,24,25,27)
InChIKeyRCFPONQCIBSDPU-UHFFFAOYSA-N
XLogP41.44
TPSA537.08 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003296.98
LogP ≤ 541.44
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (CID 160584597) is N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is CC1(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2nc(-c3ccccc3)cs2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2C(=O)CC1c1ccccc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2C(=O)CC1c1ccccc12.COc1cccc(-c2csc(NC(=O)C3(C)CC4C(=O)CC3c3ccccc34)n2)c1.Cc1cccc(-c2csc(NC(=O)C3(C)CC4C(=O)CC3c3ccccc34)n2)c1.
What is the InChIKey of N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The InChIKey is RCFPONQCIBSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N3O2.C24H19N3O2S.C24H22N2O3S.C24H22N2O2S.C23H18F2N2O2S.C23H19FN2O2S.C23H20N2O2S/c2*1-27(14-21-18-10-4-5-11-19(18)22(27)13-24(21)31)25(32)30-26-28-15-23(29-26)20-12-6-8-16-7-2-3-9-17(16)20;1-24(11-18-16-7-2-3-8-17(16)19(24)10-21(18)28)22(29)27-23-26-20(13-30-23)15-6-4-5-14(9-15)12-25;1-24(12-18-16-8-3-4-9-17(16)19(24)11-21(18)27)22(28)26-23-25-20(13-30-23)14-6-5-7-15(10-14)29-2;1-14-6-5-7-15(10-14)20-13-29-23(25-20)26-22(28)24(2)12-18-16-8-3-4-9-17(16)19(24)11-21(18)27;1-23(10-15-13-4-2-3-5-14(13)16(23)9-20(15)28)21(29)27-22-26-19(11-30-22)12-6-7-17(24)18(25)8-12;1-23(11-17-15-7-2-3-8-16(15)18(23)10-20(17)27)21(28)26-22-25-19(12-29-22)13-5-4-6-14(24)9-13;1-23(12-17-15-9-5-6-10-16(15)18(23)11-20(17)26)21(27)25-22-24-19(13-28-22)14-7-3-2-4-8-14/h2*2-12,15,21-22H,13-14H2,1H3,(H2,28,29,30,32);2-9,13,18-19H,10-11H2,1H3,(H,26,27,29);3-10,13,18-19H,11-12H2,1-2H3,(H,25,26,28);3-10,13,18-19H,11-12H2,1-2H3,(H,25,26,28);2-8,11,15-16H,9-10H2,1H3,(H,26,27,29);2-9,12,17-18H,10-11H2,1H3,(H,25,26,28);2-10,13,17-18H,11-12H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide has a molecular weight of 3296.98 g/mol, XLogP of 41.44, 25 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-N-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;bis(9-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide);9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is sourced from PubChem (CID 160584597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).