C146H146F8N30O17S6 — CID 161363427
N-[6-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-3-pyridinyl]propane-1-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;N-[5-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-pyridinyl]-2-methylpropane-2-sulfonamide;N-[6-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-pyridinyl]propane-1-sulfonamide;N-[6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-3-pyridinyl]cyclopropanesulfonamide;N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-2-pyridinyl]-2-methylpropane-2-sulfonamide;molecular hydrogen (PubChem CID 161363427) has the molecular formula C146H146F8N30O17S6 and a molecular weight of 2937.35 g/mol. Its IUPAC name is N-[6-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-3-pyridinyl]propane-1-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;N-[5-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-pyridinyl]-2-methylpropane-2-sulfonamide;N-[6-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-pyridinyl]propane-1-sulfonamide;N-[6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-3-pyridinyl]cyclopropanesulfonamide;N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-2-pyridinyl]-2-methylpropane-2-sulfonamide;molecular hydrogen.
| Compound Name | N-[6-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-3-pyridinyl]propane-1-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;N-[5-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-pyridinyl]-2-methylpropane-2-sulfonamide;N-[6-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-pyridinyl]propane-1-sulfonamide;N-[6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-3-pyridinyl]cyclopropanesulfonamide;N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-2-pyridinyl]-2-methylpropane-2-sulfonamide;molecular hydrogen |
|---|---|
| PubChem CID | 161363427 |
| Molecular Formula | C146H146F8N30O17S6 |
| Molecular Weight | 2937.35 g/mol |
| Exact Mass | 2934.97 |
| IUPAC Name | N-[6-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-3-pyridinyl]propane-1-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;N-[5-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-pyridinyl]-2-methylpropane-2-sulfonamide;N-[6-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-pyridinyl]propane-1-sulfonamide;N-[6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-3-pyridinyl]cyclopropanesulfonamide;N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-2-pyridinyl]-2-methylpropane-2-sulfonamide;molecular hydrogen |
| SMILES | CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cn1.CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cn1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)nc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)nc1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cn2)n(CC2CC2)c2cc(OC(F)F)ccc12.N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(CC(F)F)ccc12.[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C27H24N6O3S.C26H26N6O3S.C25H24N6O3S.C23H22F4N4O2S.C23H24F2N4O3S.C22H20F2N4O3S.3H2/c1-2-13-37(34,35)32-19-8-11-24(31-17-19)26-23(16-29)22-10-9-21(14-25(22)33(26)20-6-3-7-20)36-27-18(15-28)5-4-12-30-27;1-26(2,3)36(33,34)31-23-11-8-17(16-30-23)24-21(15-27)20-10-9-19(35-25-28-12-5-13-29-25)14-22(20)32(24)18-6-4-7-18;1-2-13-35(32,33)30-17-7-10-22(29-16-17)24-21(15-26)20-9-8-19(34-25-27-11-4-12-28-25)14-23(20)31(24)18-5-3-6-18;24-10-15(11-25)30-34(32,33)17-5-7-20(29-13-17)23-19(12-28)18-6-4-14(9-22(26)27)8-21(18)31(23)16-2-1-3-16;1-23(2,3)33(30,31)28-20-9-6-15(12-27-20)21-18(11-26)17-8-7-16(32-22(24)25)10-19(17)29(21)13-14-4-5-14;23-22(24)31-15-4-7-17-18(10-25)21(28(20(17)9-15)12-13-1-2-13)19-8-3-14(11-26-19)27-32(29,30)16-5-6-16;;;/h4-5,8-12,14,17,20,32H,2-3,6-7,13H2,1H3;5,8-14,16,18H,4,6-7H2,1-3H3,(H,30,31);4,7-12,14,16,18,30H,2-3,5-6,13H2,1H3;4-8,13,15-16,22,30H,1-3,9-11H2;6-10,12,14,22H,4-5,13H2,1-3H3,(H,27,28);3-4,7-9,11,13,16,22,27H,1-2,5-6,12H2;3*1H |
| InChIKey | VPMKRCLLDDTKPP-UHFFFAOYSA-N |
| XLogP | 31.02 |
| TPSA | 661.07 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 207 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2937.35 |
| LogP ≤ 5 | 31.02 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 41 |