5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide

C162H140BrF3N20O13S4 — CID 159903755

IUPAC5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
SMILESCN1C(=O)C2CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C1c1ccccc12.COc1ccc(Cc2csc(NC(=O)C3(C)CC4C(=O)NC3c3ccccc34)n2)cc1.Cc1ccc(-c2csc(NC(=O)C3CC4C(=O)CC3c3cc(Br)ccc34)n2)c2ccccc12.Cc1ccc2c(c1)C1CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C2N(C)C1=O.Cc1ccc2c(c1)C1CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C2NC1=O.Cc1cccc2c1C1NC(=O)C2CC1(C)C(=O)Nc1nc(-c2ccc(F)c3ccccc23)cs1
InChIInChI=1S/C29H26N4O2S.C28H25FN4O2.C27H21BrN2O2S.C27H23FN4O2.C27H22FN3O2S.C24H23N3O3S/c1-29(16-24-22-5-3-4-6-23(22)25(29)33(2)26(24)34)27(35)32-28-31-21(17-36-28)15-18-7-9-19(10-8-18)20-11-13-30-14-12-20;1-15-8-9-19-20(12-15)21-13-28(2,24(19)33(3)25(21)34)26(35)32-27-30-14-23(31-27)18-10-11-22(29)17-7-5-4-6-16(17)18;1-14-6-8-19(17-5-3-2-4-16(14)17)24-13-33-27(29-24)30-26(32)23-11-22-18-9-7-15(28)10-20(18)21(23)12-25(22)31;1-14-7-8-18-19(11-14)20-12-27(2,23(18)31-24(20)33)25(34)32-26-29-13-22(30-26)17-9-10-21(28)16-6-4-3-5-15(16)17;1-14-6-5-9-18-19-12-27(2,23(22(14)18)30-24(19)32)25(33)31-26-29-21(13-34-26)17-10-11-20(28)16-8-4-3-7-15(16)17;1-24(12-19-17-5-3-4-6-18(17)20(24)26-21(19)28)22(29)27-23-25-15(13-31-23)11-14-7-9-16(30-2)10-8-14/h3-14,17,24-25H,15-16H2,1-2H3,(H,31,32,35);4-12,14,21,24H,13H2,1-3H3,(H2,30,31,32,35);2-10,13,21-23H,11-12H2,1H3,(H,29,30,32);3-11,13,20,23H,12H2,1-2H3,(H,31,33)(H2,29,30,32,34);3-11,13,19,23H,12H2,1-2H3,(H,30,32)(H,29,31,33);3-10,13,19-20H,11-12H2,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyNWHIGVQYJPJATC-UHFFFAOYSA-N
MW2840.19 g/mol
LogP32.34
Rot. Bonds22

About 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide

5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide (PubChem CID 159903755) has the molecular formula C162H140BrF3N20O13S4 and a molecular weight of 2840.19 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
PubChem CID159903755
Molecular FormulaC162H140BrF3N20O13S4
Molecular Weight2840.19 g/mol
Exact Mass2836.89
IUPAC Name5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
SMILESCN1C(=O)C2CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C1c1ccccc12.COc1ccc(Cc2csc(NC(=O)C3(C)CC4C(=O)NC3c3ccccc34)n2)cc1.Cc1ccc(-c2csc(NC(=O)C3CC4C(=O)CC3c3cc(Br)ccc34)n2)c2ccccc12.Cc1ccc2c(c1)C1CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C2N(C)C1=O.Cc1ccc2c(c1)C1CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C2NC1=O.Cc1cccc2c1C1NC(=O)C2CC1(C)C(=O)Nc1nc(-c2ccc(F)c3ccccc23)cs1
InChIInChI=1S/C29H26N4O2S.C28H25FN4O2.C27H21BrN2O2S.C27H23FN4O2.C27H22FN3O2S.C24H23N3O3S/c1-29(16-24-22-5-3-4-6-23(22)25(29)33(2)26(24)34)27(35)32-28-31-21(17-36-28)15-18-7-9-19(10-8-18)20-11-13-30-14-12-20;1-15-8-9-19-20(12-15)21-13-28(2,24(19)33(3)25(21)34)26(35)32-27-30-14-23(31-27)18-10-11-22(29)17-7-5-4-6-16(17)18;1-14-6-8-19(17-5-3-2-4-16(14)17)24-13-33-27(29-24)30-26(32)23-11-22-18-9-7-15(28)10-20(18)21(23)12-25(22)31;1-14-7-8-18-19(11-14)20-12-27(2,23(18)31-24(20)33)25(34)32-26-29-13-22(30-26)17-9-10-21(28)16-6-4-3-5-15(16)17;1-14-6-5-9-18-19-12-27(2,23(22(14)18)30-24(19)32)25(33)31-26-29-21(13-34-26)17-10-11-20(28)16-8-4-3-7-15(16)17;1-24(12-19-17-5-3-4-6-18(17)20(24)26-21(19)28)22(29)27-23-25-15(13-31-23)11-14-7-9-16(30-2)10-8-14/h3-14,17,24-25H,15-16H2,1-2H3,(H,31,32,35);4-12,14,21,24H,13H2,1-3H3,(H2,30,31,32,35);2-10,13,21-23H,11-12H2,1H3,(H,29,30,32);3-11,13,20,23H,12H2,1-2H3,(H,31,33)(H2,29,30,32,34);3-11,13,19,23H,12H2,1-2H3,(H,30,32)(H,29,31,33);3-10,13,19-20H,11-12H2,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyNWHIGVQYJPJATC-UHFFFAOYSA-N
XLogP32.34
TPSA450.63 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002840.19
LogP ≤ 532.34
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide with MolForge

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Related Compounds

N-(4-benzyl-1,3-thiazol-2-yl)-9-ethyl-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
CID 157631088
1-cyano-N-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-15-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);bis(1-cyano-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)
CID 158150347
bis(N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide);N-[5-[(4-bromophenyl)methyl]-1H-imidazol-2-yl]-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide);bis(1-cyano-15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide)
CID 159162621
N-(4-benzyl-1,3-thiazol-2-yl)-9-ethyl-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
CID 159752316
9-benzyl-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-9-ethyl-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);9-ethyl-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;9-ethyl-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
CID 160309166
N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-[5-[(4-bromophenyl)methyl]-1H-imidazol-2-yl]-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide);bis(1-cyano-15-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide)
CID 160414864
1-cyano-N-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-15-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15-carboxamide);1-cyano-16-methyl-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;16-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide
CID 162133957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide (CID 159903755) is 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide is CN1C(=O)C2CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C1c1ccccc12.COc1ccc(Cc2csc(NC(=O)C3(C)CC4C(=O)NC3c3ccccc34)n2)cc1.Cc1ccc(-c2csc(NC(=O)C3CC4C(=O)CC3c3cc(Br)ccc34)n2)c2ccccc12.Cc1ccc2c(c1)C1CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C2N(C)C1=O.Cc1ccc2c(c1)C1CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C2NC1=O.Cc1cccc2c1C1NC(=O)C2CC1(C)C(=O)Nc1nc(-c2ccc(F)c3ccccc23)cs1.
What is the InChIKey of 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide?
The InChIKey is NWHIGVQYJPJATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2S.C28H25FN4O2.C27H21BrN2O2S.C27H23FN4O2.C27H22FN3O2S.C24H23N3O3S/c1-29(16-24-22-5-3-4-6-23(22)25(29)33(2)26(24)34)27(35)32-28-31-21(17-36-28)15-18-7-9-19(10-8-18)20-11-13-30-14-12-20;1-15-8-9-19-20(12-15)21-13-28(2,24(19)33(3)25(21)34)26(35)32-27-30-14-23(31-27)18-10-11-22(29)17-7-5-4-6-16(17)18;1-14-6-8-19(17-5-3-2-4-16(14)17)24-13-33-27(29-24)30-26(32)23-11-22-18-9-7-15(28)10-20(18)21(23)12-25(22)31;1-14-7-8-18-19(11-14)20-12-27(2,23(18)31-24(20)33)25(34)32-26-29-13-22(30-26)17-9-10-21(28)16-6-4-3-5-15(16)17;1-14-6-5-9-18-19-12-27(2,23(22(14)18)30-24(19)32)25(33)31-26-29-21(13-34-26)17-10-11-20(28)16-8-4-3-7-15(16)17;1-24(12-19-17-5-3-4-6-18(17)20(24)26-21(19)28)22(29)27-23-25-15(13-31-23)11-14-7-9-16(30-2)10-8-14/h3-14,17,24-25H,15-16H2,1-2H3,(H,31,32,35);4-12,14,21,24H,13H2,1-3H3,(H2,30,31,32,35);2-10,13,21-23H,11-12H2,1H3,(H,29,30,32);3-11,13,20,23H,12H2,1-2H3,(H,31,33)(H2,29,30,32,34);3-11,13,19,23H,12H2,1-2H3,(H,30,32)(H,29,31,33);3-10,13,19-20H,11-12H2,1-2H3,(H,26,28)(H,25,27,29).
What are the key properties of 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide?
5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide has a molecular weight of 2840.19 g/mol, XLogP of 32.34, 22 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;9,12-dimethyl-10-oxo-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide is sourced from PubChem (CID 159903755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).