C282H310F3N31O39S2 — CID 159885654
butan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;N-[4-[3-cyano-1-cyclobutyl-6-(3-ethoxypropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(3-methoxypropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylic acid;1-cyclopentylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 159885654) has the molecular formula C282H310F3N31O39S2 and a molecular weight of 4878.89 g/mol. Its IUPAC name is butan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;N-[4-[3-cyano-1-cyclobutyl-6-(3-ethoxypropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(3-methoxypropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylic acid;1-cyclopentylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate.
| Compound Name | butan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;N-[4-[3-cyano-1-cyclobutyl-6-(3-ethoxypropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(3-methoxypropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylic acid;1-cyclopentylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate |
|---|---|
| PubChem CID | 159885654 |
| Molecular Formula | C282H310F3N31O39S2 |
| Molecular Weight | 4878.89 g/mol |
| Exact Mass | 4875.26 |
| IUPAC Name | butan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;N-[4-[3-cyano-1-cyclobutyl-6-(3-ethoxypropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(3-methoxypropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylic acid;1-cyclopentylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate |
| SMILES | CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)O)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)C1CCCC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)c1ccccc1.CCC(C)C(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1.CCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)C(C)C.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCOC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCOCC)cc3n2C2CCC2)cc1 |
| InChI | InChI=1S/C32H31N3O4.C31H35N3O4.2C30H35N3O4.C28H31N3O4.C27H26F3N3O4.C27H30N4O3.C27H33N3O4S.C26H31N3O4S.C24H23N3O4/c1-21(22-6-3-2-4-7-22)38-32(36)34-24-12-10-23(11-13-24)31-29(19-33)28-15-14-26(39-27-16-17-37-20-27)18-30(28)35(31)25-8-5-9-25;1-20(21-5-2-3-6-21)37-31(35)33-23-11-9-22(10-12-23)30-28(18-32)27-14-13-25(38-26-15-16-36-19-26)17-29(27)34(30)24-7-4-8-24;1-4-19(2)20(3)36-30(34)32-22-10-8-21(9-11-22)29-27(17-31)26-13-12-24(37-25-14-15-35-18-25)16-28(26)33(29)23-6-5-7-23;1-4-28(19(2)3)37-30(34)32-21-10-8-20(9-11-21)29-26(17-31)25-13-12-23(36-24-14-15-35-18-24)16-27(25)33(29)22-6-5-7-22;1-3-18(2)34-28(32)30-20-9-7-19(8-10-20)27-25(16-29)24-12-11-22(35-23-13-14-33-17-23)15-26(24)31(27)21-5-4-6-21;1-16(27(28,29)30)36-26(34)32-18-7-5-17(6-8-18)25-23(14-31)22-10-9-20(37-21-11-12-35-15-21)13-24(22)33(25)19-3-2-4-19;1-17(2)29-27(32)30-19-8-6-18(7-9-19)26-24(15-28)23-11-10-21(34-22-12-13-33-16-22)14-25(23)31(26)20-4-3-5-20;1-3-17-35(31,32)29-21-11-9-20(10-12-21)27-25(19-28)24-14-13-23(34-16-6-15-33-4-2)18-26(24)30(27)22-7-5-8-22;1-3-16-34(30,31)28-20-10-8-19(9-11-20)26-24(18-27)23-13-12-22(33-15-5-14-32-2)17-25(23)29(26)21-6-4-7-21;1-14(2)31-24(30)26-17-9-6-15(7-10-17)22-20(13-25)19-11-8-16(23(28)29)12-21(19)27(22)18-4-3-5-18/h2-4,6-7,10-15,18,21,25,27H,5,8-9,16-17,20H2,1H3,(H,34,36);9-14,17,20-21,24,26H,2-8,15-16,19H2,1H3,(H,33,35);8-13,16,19-20,23,25H,4-7,14-15,18H2,1-3H3,(H,32,34);8-13,16,19,22,24,28H,4-7,14-15,18H2,1-3H3,(H,32,34);7-12,15,18,21,23H,3-6,13-14,17H2,1-2H3,(H,30,32);5-10,13,16,19,21H,2-4,11-12,15H2,1H3,(H,32,34);6-11,14,17,20,22H,3-5,12-13,16H2,1-2H3,(H2,29,30,32);9-14,18,22,29H,3-8,15-17H2,1-2H3;8-13,17,21,28H,3-7,14-16H2,1-2H3;6-12,14,18H,3-5H2,1-2H3,(H,26,30)(H,28,29) |
| InChIKey | NUCFZXNBUCRGIR-UHFFFAOYSA-N |
| XLogP | 64.18 |
| TPSA | 892.42 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 58 |
| Rotatable Bonds | 77 |
| Heavy Atoms | 357 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4878.89 |
| LogP ≤ 5 | 64.18 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 58 |