C184H254N22O16 — CID 159299939
N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methane (PubChem CID 159299939) has the molecular formula C184H254N22O16 and a molecular weight of 3030.19 g/mol. Its IUPAC name is N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methane.
| Compound Name | N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methane |
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| PubChem CID | 159299939 |
| Molecular Formula | C184H254N22O16 |
| Molecular Weight | 3030.19 g/mol |
| Exact Mass | 3027.97 |
| IUPAC Name | N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methane |
| SMILES | C.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CCCCC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CCNCC3)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3[C@@H]4CC[C@H]3CNC4)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)NC(C)(C)CO)CC2)cc1 |
| InChI | InChI=1S/C38H51N5O3.C37H50N4O3.C36H49N5O3.C36H50N4O4.C36H50N4O3.CH4/c1-25-4-7-27(8-5-25)36(44)40-35-21-29-9-6-26(24-41-18-16-30(17-19-41)38(2,3)46)20-34(29)43(35)31-12-10-28(11-13-31)37(45)42-32-14-15-33(42)23-39-22-32;1-26-7-10-28(11-8-26)35(42)38-34-24-30-12-9-27(25-39-21-17-31(18-22-39)37(2,3)44)23-33(30)41(34)32-15-13-29(14-16-32)36(43)40-19-5-4-6-20-40;1-25-4-7-27(8-5-25)34(42)38-33-23-29-9-6-26(24-39-18-14-30(15-19-39)36(2,3)44)22-32(29)41(33)31-12-10-28(11-13-31)35(43)40-20-16-37-17-21-40;1-24-6-9-26(10-7-24)33(42)37-32-21-28-11-8-25(22-39-18-16-29(17-19-39)36(4,5)44)20-31(28)40(32)30-14-12-27(13-15-30)34(43)38-35(2,3)23-41;1-24-7-10-26(11-8-24)33(41)37-32-22-28-12-9-25(23-39-19-17-29(18-20-39)36(5,6)43)21-31(28)40(32)30-15-13-27(14-16-30)34(42)38-35(2,3)4;/h4-9,20,28,30-33,39,46H,10-19,21-24H2,1-3H3;7-12,23,29,31-32,44H,4-6,13-22,24-25H2,1-3H3;4-9,22,28,30-31,37,44H,10-21,23-24H2,1-3H3;6-11,20,27,29-30,41,44H,12-19,21-23H2,1-5H3,(H,38,43);7-12,21,27,29-30,43H,13-20,22-23H2,1-6H3,(H,38,42);1H4/b40-35+;38-34+;38-33+;2*37-32+;/t28?,31?,32-,33+;;;;; |
| InChIKey | LBEZCDRZSRRWOU-DWAZSVLJSA-N |
| XLogP | 27.54 |
| TPSA | 444.12 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 222 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3030.19 |
| LogP ≤ 5 | 27.54 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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