C148H181N23O24S4 — CID 159763758
13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 159763758) has the molecular formula C148H181N23O24S4 and a molecular weight of 2794.48 g/mol. Its IUPAC name is 13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.
| Compound Name | 13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide |
|---|---|
| PubChem CID | 159763758 |
| Molecular Formula | C148H181N23O24S4 |
| Molecular Weight | 2794.48 g/mol |
| Exact Mass | 2792.25 |
| IUPAC Name | 13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide |
| SMILES | COc1ccc2c(c1)C=C(C(=O)N1CCC(O)(c3cccnc3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCN(C(=O)N(C)C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCN(C(=O)N3CCCC3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCN(C(=O)N3CCCCC3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 |
| InChI | InChI=1S/C38H48N6O6S.C38H43N5O6S.C37H46N6O6S.C35H44N6O6S/c1-40(2)51(48,49)39-36(45)27-12-14-32-33(24-27)44-25-29(37(46)41-18-20-43(21-19-41)38(47)42-16-8-5-9-17-42)22-28-23-30(50-3)13-15-31(28)35(44)34(32)26-10-6-4-7-11-26;1-41(2)50(47,48)40-36(44)26-11-13-32-33(22-26)43-24-28(37(45)42-18-15-38(46,16-19-42)29-10-7-17-39-23-29)20-27-21-30(49-3)12-14-31(27)35(43)34(32)25-8-5-4-6-9-25;1-39(2)50(47,48)38-35(44)26-11-13-31-32(23-26)43-24-28(36(45)40-17-19-42(20-18-40)37(46)41-15-7-8-16-41)21-27-22-29(49-3)12-14-30(27)34(43)33(31)25-9-5-4-6-10-25;1-37(2)35(44)40-17-15-39(16-18-40)34(43)26-19-25-20-27(47-5)12-14-28(25)32-31(23-9-7-6-8-10-23)29-13-11-24(21-30(29)41(32)22-26)33(42)36-48(45,46)38(3)4/h12-15,22-24,26H,4-11,16-21,25H2,1-3H3,(H,39,45);7,10-14,17,20-23,25,46H,4-6,8-9,15-16,18-19,24H2,1-3H3,(H,40,44);11-14,21-23,25H,4-10,15-20,24H2,1-3H3,(H,38,44);11-14,19-21,23H,6-10,15-18,22H2,1-5H3,(H,36,42) |
| InChIKey | NFFSNEJIQYHQMH-UHFFFAOYSA-N |
| XLogP | 19.03 |
| TPSA | 507.57 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2794.48 |
| LogP ≤ 5 | 19.03 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 29 |