About 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide
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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide (PubChem CID 157381167) has the molecular formula C175H147F6N23O11S3
and a molecular weight of 2958.44 g/mol. Its IUPAC name is 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide?
The IUPAC name of 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide (CID 157381167) is 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide.
What is the SMILES notation for 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide?
The canonical SMILES for 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide is CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2C(NNc3ccccc3)=NC1c1ccccc12.CC1(C(=O)Nc2ncc(-c3ccc(F)c4ccccc34)[nH]2)CC2C(=O)N(Cc3ccccc3)C1c1ccccc12.CCN1C(=O)C2CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C1c1ccccc12.CCN1C(=O)C2CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C1c1ccccc12.CN1C(=O)C2CC(C)(C(=O)Nc3nc(-c4ccc(F)c5ccccc45)cs3)C1c1ccccc12.CN1C(=O)C2CC(C)(C(=O)Nc3ncc(-c4ccc(F)c5ccccc45)[nH]3)C1c1ccccc12.
What is the InChIKey of 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide?
The InChIKey is BKXAOWCLKLAVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27FN4O2.C32H26FN5OS.C28H25FN4O2.C28H24FN3O2S.C27H23FN4O2.C27H22FN3O2S/c1-33(31(40)37-32-35-18-28(36-32)24-15-16-27(34)23-13-7-5-11-21(23)24)17-26-22-12-6-8-14-25(22)29(33)38(30(26)39)19-20-9-3-2-4-10-20;1-32(30(39)36-31-34-27(18-40-31)23-15-16-26(33)22-13-7-5-11-20(22)23)17-25-21-12-6-8-14-24(21)28(32)35-29(25)38-37-19-9-3-2-4-10-19;1-3-33-24-20-11-7-5-9-17(20)21(25(33)34)14-28(24,2)26(35)32-27-30-15-23(31-27)19-12-13-22(29)18-10-6-4-8-16(18)19;1-3-32-24-20-11-7-5-9-17(20)21(25(32)33)14-28(24,2)26(34)31-27-30-23(15-35-27)19-12-13-22(29)18-10-6-4-8-16(18)19;1-27(13-20-16-8-4-6-10-19(16)23(27)32(2)24(20)33)25(34)31-26-29-14-22(30-26)18-11-12-21(28)17-9-5-3-7-15(17)18;1-27(13-20-16-8-4-6-10-19(16)23(27)31(2)24(20)32)25(33)30-26-29-22(14-34-26)18-11-12-21(28)17-9-5-3-7-15(17)18/h2-16,18,26,29H,17,19H2,1H3,(H2,35,36,37,40);2-16,18,25,28,37H,17H2,1H3,(H,35,38)(H,34,36,39);4-13,15,21,24H,3,14H2,1-2H3,(H2,30,31,32,35);4-13,15,21,24H,3,14H2,1-2H3,(H,30,31,34);3-12,14,20,23H,13H2,1-2H3,(H2,29,30,31,34);3-12,14,20,23H,13H2,1-2H3,(H,29,30,33).
What are the key properties of 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide?
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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide has a molecular weight of 2958.44 g/mol, XLogP of 36.19, 24 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-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-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-(2-phenylhydrazinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene-12-carboxamide is sourced from PubChem (CID 157381167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).