C304H388N24O23 — CID 157109693
cyclopropyl-[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone;[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methylindol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]methanone;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;7-methoxy-N-(2-methylpropyl)-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone;1-[7-methyl-1-[3-[(2S,5R)-2-methyl-5-(4-phenylbutyl)pyrrolidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 157109693) has the molecular formula C304H388N24O23 and a molecular weight of 4746.59 g/mol. Its IUPAC name is cyclopropyl-[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone;[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methylindol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]methanone;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;7-methoxy-N-(2-methylpropyl)-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone;1-[7-methyl-1-[3-[(2S,5R)-2-methyl-5-(4-phenylbutyl)pyrrolidin-1-yl]propyl]indol-3-yl]ethanone.
| Compound Name | cyclopropyl-[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone;[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methylindol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]methanone;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;7-methoxy-N-(2-methylpropyl)-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone;1-[7-methyl-1-[3-[(2S,5R)-2-methyl-5-(4-phenylbutyl)pyrrolidin-1-yl]propyl]indol-3-yl]ethanone |
|---|---|
| PubChem CID | 157109693 |
| Molecular Formula | C304H388N24O23 |
| Molecular Weight | 4746.59 g/mol |
| Exact Mass | 4742.99 |
| IUPAC Name | cyclopropyl-[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone;[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methylindol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]methanone;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;7-methoxy-N-(2-methylpropyl)-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone;1-[7-methyl-1-[3-[(2S,5R)-2-methyl-5-(4-phenylbutyl)pyrrolidin-1-yl]propyl]indol-3-yl]ethanone |
| SMILES | CC(=O)c1cn(CCCN2[C@@H]3CC[C@H]2CC(OCC2CC2)C3)c2c(C)cccc12.CC(=O)c1cn(CCCN2[C@H](CCCCc3ccccc3)CC[C@@H]2C)c2c(C)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3[C@@H]4CC[C@H]3CC(CCc3ccccc3)C4)c12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3[C@@H]4CC[C@H]3CC(CCc3ccccc3)C4)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CCc3ccccc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(CCc3ccccc3)C4)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c12 |
| InChI | InChI=1S/C36H43N3O2.C34H38N2O2.C32H41N3O3.C32H43N3O2.C31H38N2O2.C30H36N2O3.C29H38N2O.C28H41N3O3.C27H36N2O3.C25H34N2O2/c1-26-9-6-12-29(21-26)24-37-36(40)33-25-38(35-32(33)13-7-14-34(35)41-2)19-8-20-39-30-17-18-31(39)23-28(22-30)16-15-27-10-4-3-5-11-27;1-38-32-15-8-14-30-31(34(37)27-12-6-3-7-13-27)24-35(33(30)32)20-9-21-36-28-18-19-29(36)23-26(22-28)17-16-25-10-4-2-5-11-25;1-22-6-3-7-24(16-22)19-33-32(36)29-20-34(31-28(29)8-4-9-30(31)37-2)14-5-15-35-25-12-13-26(35)18-27(17-25)38-21-23-10-11-23;1-23(2)21-33-32(36)29-22-34(31-28(29)11-7-12-30(31)37-3)17-8-18-35-26-15-16-27(35)20-25(19-26)14-13-24-9-5-4-6-10-24;1-35-29-10-5-9-27-28(31(34)24-13-14-24)21-32(30(27)29)17-6-18-33-25-15-16-26(33)20-23(19-25)12-11-22-7-3-2-4-8-22;1-34-28-10-5-9-26-27(30(33)22-7-3-2-4-8-22)19-31(29(26)28)15-6-16-32-23-13-14-24(32)18-25(17-23)35-20-21-11-12-21;1-22-11-9-16-27-28(24(3)32)21-30(29(22)27)19-10-20-31-23(2)17-18-26(31)15-8-7-14-25-12-5-4-6-13-25;1-19(2)16-29-28(32)25-17-30(27-24(25)6-4-7-26(27)33-3)12-5-13-31-21-10-11-22(31)15-23(14-21)34-18-20-8-9-20;1-31-25-5-2-4-23-24(27(30)19-8-9-19)16-28(26(23)25)12-3-13-29-20-10-11-21(29)15-22(14-20)32-17-18-6-7-18;1-17-5-3-6-23-24(18(2)28)15-26(25(17)23)11-4-12-27-20-9-10-21(27)14-22(13-20)29-16-19-7-8-19/h3-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1-2H3,(H,37,40);2-8,10-15,24,26,28-29H,9,16-23H2,1H3;3-4,6-9,16,20,23,25-27H,5,10-15,17-19,21H2,1-2H3,(H,33,36);4-7,9-12,22-23,25-27H,8,13-21H2,1-3H3,(H,33,36);2-5,7-10,21,23-26H,6,11-20H2,1H3;2-5,7-10,19,21,23-25H,6,11-18,20H2,1H3;4-6,9,11-13,16,21,23,26H,7-8,10,14-15,17-20H2,1-3H3;4,6-7,17,19-23H,5,8-16,18H2,1-3H3,(H,29,32);2,4-5,16,18-22H,3,6-15,17H2,1H3;3,5-6,15,19-22H,4,7-14,16H2,1-2H3/t28?,30-,31+;26?,28-,29+;25-,26+,27?;25?,26-,27+;23?,25-,26+;23-,24+,25?;23-,26+;21-,22+,23?;2*20-,21+,22?/m......0.../s1 |
| InChIKey | AGRYBIONRWELIN-GDCTVBHVSA-N |
| XLogP | 60.18 |
| TPSA | 420.51 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 102 |
| Heavy Atoms | 351 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4746.59 |
| LogP ≤ 5 | 60.18 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 43 |