C333H368N52O36S2 — CID 158762412
tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-4-yl)butoxy]indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(1-methylcyclobutyl) N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-4-yl)butoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate (PubChem CID 158762412) has the molecular formula C333H368N52O36S2 and a molecular weight of 5739.07 g/mol. Its IUPAC name is tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-4-yl)butoxy]indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(1-methylcyclobutyl) N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-4-yl)butoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate.
| Compound Name | tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-4-yl)butoxy]indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(1-methylcyclobutyl) N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-4-yl)butoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate |
|---|---|
| PubChem CID | 158762412 |
| Molecular Formula | C333H368N52O36S2 |
| Molecular Weight | 5739.07 g/mol |
| Exact Mass | 5734.80 |
| IUPAC Name | tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;1-[4-(3-cyano-1-cyclobutyl-6-cyclopropyloxyindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-4-yl)butoxy]indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(1-methylcyclobutyl) N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-4-yl)butoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-formylindol-2-yl]phenyl]carbamate |
| SMILES | CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cnnc4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4ccnc4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)C(C)(C)C.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cnnc4)cc3n2C2CCC2)cc1)C1CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4(C)CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)(C)C)cc1)n2CC.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)(C)C)cc1)n2CC1CC1 |
| InChI | InChI=1S/C32H38N6O3.C32H35N5O3.C31H34N6O3.C29H32N6O3.C28H31N3O3.C27H29N5O3S.C27H29N3O3.C26H28N6O3S.C26H28N4O2.C26H29N3O3.C25H28N2O4.C24H27N3O3/c1-22(32(2,3)4)41-31(39)36-24-12-10-23(11-13-24)30-28(19-33)27-15-14-26(18-29(27)38(30)25-8-7-9-25)40-17-6-5-16-37-21-34-20-35-37;1-22(23-7-8-23)40-32(38)35-25-11-9-24(10-12-25)31-29(20-33)28-14-13-27(19-30(28)37(31)26-5-4-6-26)39-18-3-2-16-36-17-15-34-21-36;1-21(22-7-8-22)40-31(38)35-24-11-9-23(10-12-24)30-28(18-32)27-14-13-26(17-29(27)37(30)25-5-4-6-25)39-16-3-2-15-36-19-33-34-20-36;1-20(2)38-29(36)33-22-10-8-21(9-11-22)28-26(17-30)25-13-12-24(16-27(25)35(28)23-6-5-7-23)37-15-4-3-14-34-18-31-32-19-34;1-3-33-23-14-15-24-25(17-29)27(31(26(24)16-23)22-8-5-9-22)20-10-12-21(13-11-20)30-28(32)34-18(2)19-6-4-7-19;1-2-16-36(33,34)30-21-8-6-20(7-9-21)27-25(18-28)24-11-10-23(35-15-14-31-13-12-29-19-31)17-26(24)32(27)22-4-3-5-22;1-3-32-21-12-13-22-23(17-28)25(30(24(22)16-21)20-6-4-7-20)18-8-10-19(11-9-18)29-26(31)33-27(2)14-5-15-27;1-2-14-36(33,34)30-20-8-6-19(7-9-20)26-24(16-27)23-11-10-22(35-13-12-31-18-28-17-29-31)15-25(23)32(26)21-4-3-5-21;1-16(2)28-26(31)29-18-8-6-17(7-9-18)25-23(15-27)22-13-12-21(32-20-10-11-20)14-24(22)30(25)19-4-3-5-19;1-5-31-20-12-13-23-21(14-20)22(15-27)24(29(23)16-17-6-7-17)18-8-10-19(11-9-18)28-25(30)32-26(2,3)4;1-4-30-20-11-12-21-22(15-28)24(27(23(21)13-20)14-17-5-6-17)18-7-9-19(10-8-18)26-25(29)31-16(2)3;1-6-27-21-13-12-18(29-7-2)14-19(21)20(15-25)22(27)16-8-10-17(11-9-16)26-23(28)30-24(3,4)5/h10-15,18,20-22,25H,5-9,16-17H2,1-4H3,(H,36,39);9-15,17,19,21-23,26H,2-8,16,18H2,1H3,(H,35,38);9-14,17,19-22,25H,2-8,15-16H2,1H3,(H,35,38);8-13,16,18-20,23H,3-7,14-15H2,1-2H3,(H,33,36);10-16,18-19,22H,3-9H2,1-2H3,(H,30,32);6-13,17,19,22,30H,2-5,14-16H2,1H3;8-13,16,20H,3-7,14-15H2,1-2H3,(H,29,31);6-11,15,17-18,21,30H,2-5,12-14H2,1H3;6-9,12-14,16,19-20H,3-5,10-11H2,1-2H3,(H2,28,29,31);8-14,17H,5-7,16H2,1-4H3,(H,28,30);7-13,15-17H,4-6,14H2,1-3H3,(H,26,29);8-14H,6-7H2,1-5H3,(H,26,28) |
| InChIKey | IOVMVDLRYGAILI-UHFFFAOYSA-N |
| XLogP | 75.70 |
| TPSA | 1085.60 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 75 |
| Rotatable Bonds | 100 |
| Heavy Atoms | 423 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5739.07 |
| LogP ≤ 5 | 75.70 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 75 |