About (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one
(1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one (PubChem CID 158089644) has the molecular formula C156H152ClN11O17
and a molecular weight of 2488.44 g/mol. Its IUPAC name is (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one.
Frequently Asked Questions
What is the IUPAC name of (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one?
The IUPAC name of (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one (CID 158089644) is (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one.
What is the SMILES notation for (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one?
The canonical SMILES for (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one is CC(=O)Nc1c(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c2ccc3c4c(ccnc24)CCO3)c2ccccc12.CC(=O)[C@@H](OC(C)(C)C)c1c(-c2ccc3c4c(ccnc24)CCO3)c2ccccc2c2[nH]ncc12.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(N)cccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c([N+](=O)[O-])cccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccc(-c3cccc(-c4ccc5c(cnn5C)c4)c3)cc2c1-c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one?
The InChIKey is ZUAZNGUAHMNGNV-DPRQJGFPSA-N. The full InChI is InChI=1S/C38H35ClN2O2.C31H32N2O4.C29H27N3O3.C29H28N2O5.C29H30N2O3/c1-23-18-30-11-10-29(27-9-7-8-26(19-27)28-14-17-34-31(20-28)22-40-41(34)6)21-33(30)36(25-12-15-32(39)16-13-25)35(23)37(24(2)42)43-38(3,4)5;1-17-25(30(18(2)34)37-31(4,5)6)27(21-9-7-8-10-22(21)28(17)33-19(3)35)23-11-12-24-26-20(14-16-36-24)13-15-32-29(23)26;1-16(33)28(35-29(2,3)4)25-21-15-31-32-26(21)19-8-6-5-7-18(19)24(25)20-9-10-22-23-17(12-14-34-22)11-13-30-27(20)23;1-16-15-21-19(7-6-8-22(21)31(33)34)26(24(16)28(17(2)32)36-29(3,4)5)20-9-10-23-25-18(12-14-35-23)11-13-30-27(20)25;1-16-15-21-19(7-6-8-22(21)30)26(24(16)28(17(2)32)34-29(3,4)5)20-9-10-23-25-18(12-14-33-23)11-13-31-27(20)25/h7-22,37H,1-6H3;7-13,15,30H,14,16H2,1-6H3,(H,33,35);5-11,13,15,28H,12,14H2,1-4H3,(H,31,32);6-11,13,15,28H,12,14H2,1-5H3;6-11,13,15,28H,12,14,30H2,1-5H3/t37-;30-;3*28-/m11111/s1.
What are the key properties of (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one?
(1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one has a molecular weight of 2488.44 g/mol, XLogP of 36.13, 24 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-amino-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4-chlorophenyl)-3-methyl-7-[3-(1-methylindazol-5-yl)phenyl]naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;N-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-1-yl]acetamide;(1S)-1-[3-methyl-5-nitro-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1H-benzo[g]indazol-4-yl]propan-2-one is sourced from PubChem (CID 158089644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).