About 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate
1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate (PubChem CID 157333694) has the molecular formula C124H128Cl4F4N26O14
and a molecular weight of 2424.36 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate.
Frequently Asked Questions
What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate (CID 157333694) is 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate is C=C(Cc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OCC)n1)OC.C=C(Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cnc-2[nH]1)OC.C=C(Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cnc-2[nH]1)OC.COC(=O)Cc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@@H](NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cnc-2[nH]1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate?
The InChIKey is BFOWOYAPLCZLGH-XVDBHAIWSA-N. The full InChI is InChI=1S/C34H36ClFN6O4.2C30H31ClFN7O3.C30H30ClFN6O4/c1-6-46-30-18-23-17-28(37-30)26(38-34(44)32-21(4)42(41-40-32)29-12-8-10-25(35)31(29)36)11-7-9-19(2)33(43)39-27-16-22(13-14-24(23)27)15-20(3)45-5;1-16-7-5-9-23(37-30(41)21-14-34-39(17(21)2)26-10-6-8-22(31)27(26)32)25-15-33-28(36-25)20-12-11-19(35-18(3)42-4)13-24(20)38-29(16)40;1-16-7-5-9-22(37-30(41)27-17(2)39(15-34-27)25-10-6-8-21(31)26(25)32)24-14-33-28(36-24)20-12-11-19(35-18(3)42-4)13-23(20)38-29(16)40;1-16-6-4-8-21(36-30(41)27-17(2)38(15-34-27)24-9-5-7-20(31)26(24)32)23-14-33-28(35-23)19-11-10-18(13-25(39)42-3)12-22(19)37-29(16)40/h8,10,12-14,16-19,26H,3,6-7,9,11,15H2,1-2,4-5H3,(H,38,44)(H,39,43);6,8,10-16,23,35H,3,5,7,9H2,1-2,4H3,(H,33,36)(H,37,41)(H,38,40);6,8,10-16,22,35H,3,5,7,9H2,1-2,4H3,(H,33,36)(H,37,41)(H,38,40);5,7,9-12,14-16,21H,4,6,8,13H2,1-3H3,(H,33,35)(H,36,41)(H,37,40)/t19-,26-;16-,23+;16-,22+;16-,21-/m0111/s1.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate?
1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate has a molecular weight of 2424.36 g/mol, XLogP of 24.31, 25 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-ethoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(1-methoxyethenylamino)-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-14-yl]-5-methylpyrazole-4-carboxamide;methyl 2-[(10R,14R)-14-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-10-methyl-9-oxo-8,17,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate is sourced from PubChem (CID 157333694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).