C322H340F10N46O35S10 — CID 161159655
N-[4-[3-cyano-1-cyclobutyl-6-(3-methylsulfonylpropoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(3-methylsulfonylpropoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate (PubChem CID 161159655) has the molecular formula C322H340F10N46O35S10 and a molecular weight of 5925.20 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(3-methylsulfonylpropoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(3-methylsulfonylpropoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate.
| Compound Name | N-[4-[3-cyano-1-cyclobutyl-6-(3-methylsulfonylpropoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(3-methylsulfonylpropoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 161159655 |
| Molecular Formula | C322H340F10N46O35S10 |
| Molecular Weight | 5925.20 g/mol |
| Exact Mass | 5920.33 |
| IUPAC Name | N-[4-[3-cyano-1-cyclobutyl-6-(3-methylsulfonylpropoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(3-methylsulfonylpropoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate |
| SMILES | CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1.CC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(C(=O)N5CCOCC5)cc4n3C3CCC3)cc2)CC1.CCC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(C(=O)N5CCOCC5)cc4n3C3CCC3)cc2)CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCCC4)cc3n2CC2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4F)cc3n2C2CC2)cc1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1.CS(=O)(=O)CCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C3CCC3)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCS(C)(=O)=O)cc3n2C2CCC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(N3CCCC3)ccc12 |
| InChI | InChI=1S/C29H32N4O4S.C28H23F3N4O2.C28H30N4O4S.C27H27F3N4O2.C27H28F3N3O5S.C27H32N4O2S.C27H30N4O2.C26H23FN4O3S.C26H28N4O2S.C26H30N4O2S.C26H29N3O5S2.C25H28N4O2S/c1-2-29(12-13-29)38(35,36)31-22-9-6-20(7-10-22)27-25(19-30)24-11-8-21(28(34)32-14-16-37-17-15-32)18-26(24)33(27)23-4-3-5-23;1-17(28(29,30)31)37-27(36)34-20-11-8-18(9-12-20)26-23(16-32)22-13-10-19(24-7-2-3-14-33-24)15-25(22)35(26)21-5-4-6-21;1-28(11-12-28)37(34,35)30-21-8-5-19(6-9-21)26-24(18-29)23-10-7-20(27(33)31-13-15-36-16-14-31)17-25(23)32(26)22-3-2-4-22;1-17(27(28,29)30)36-26(35)32-19-9-7-18(8-10-19)25-23(16-31)22-12-11-21(33-13-2-3-14-33)15-24(22)34(25)20-5-4-6-20;1-17(27(28,29)30)38-26(34)32-19-9-7-18(8-10-19)25-23(16-31)22-12-11-21(37-13-4-14-39(2,35)36)15-24(22)33(25)20-5-3-6-20;1-2-16-34(32,33)29-22-10-8-21(9-11-22)27-25(18-28)24-13-12-23(30-14-4-3-5-15-30)17-26(24)31(27)19-20-6-7-20;1-18(2)33-27(32)29-20-10-8-19(9-11-20)26-24(17-28)23-13-12-22(30-14-3-4-15-30)16-25(23)31(26)21-6-5-7-21;1-2-14-35(32,33)30-18-7-5-17(6-8-18)25-22(16-28)21-12-11-20(15-24(21)31(25)19-9-10-19)34-26-23(27)4-3-13-29-26;27-17-24-23-13-10-21(29-14-1-2-15-29)16-25(23)30(20-4-3-5-20)26(24)18-6-8-19(9-7-18)28-33(31,32)22-11-12-22;1-2-16-33(31,32)28-20-10-8-19(9-11-20)26-24(18-27)23-13-12-22(29-14-3-4-15-29)17-25(23)30(26)21-6-5-7-21;1-35(30,31)15-3-14-34-21-10-13-23-24(17-27)26(29(25(23)16-21)20-4-2-5-20)18-6-8-19(9-7-18)28-36(32,33)22-11-12-22;1-2-32(30,31)27-19-10-8-18(9-11-19)25-23(17-26)22-13-12-21(28-14-3-4-15-28)16-24(22)29(25)20-6-5-7-20/h6-11,18,23,31H,2-5,12-17H2,1H3;2-3,7-15,17,21H,4-6H2,1H3,(H,34,36);5-10,17,22,30H,2-4,11-16H2,1H3;7-12,15,17,20H,2-6,13-14H2,1H3,(H,32,35);7-12,15,17,20H,3-6,13-14H2,1-2H3,(H,32,34);8-13,17,20,29H,2-7,14-16,19H2,1H3;8-13,16,18,21H,3-7,14-15H2,1-2H3,(H,29,32);3-8,11-13,15,19,30H,2,9-10,14H2,1H3;6-10,13,16,20,22,28H,1-5,11-12,14-15H2;8-13,17,21,28H,2-7,14-16H2,1H3;6-10,13,16,20,22,28H,2-5,11-12,14-15H2,1H3;8-13,16,20,27H,2-7,14-15H2,1H3/t;17-;;2*17-;;;;;;;/m.1.11......./s1 |
| InChIKey | UPTJNGBKRPENQD-XZPACJTLSA-N |
| XLogP | 69.56 |
| TPSA | 1067.59 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 67 |
| Rotatable Bonds | 82 |
| Heavy Atoms | 423 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5925.20 |
| LogP ≤ 5 | 69.56 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 67 |