C168H174F6N26O15S6 — CID 159834097
N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide (PubChem CID 159834097) has the molecular formula C168H174F6N26O15S6 and a molecular weight of 3103.80 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide.
| Compound Name | N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide |
|---|---|
| PubChem CID | 159834097 |
| Molecular Formula | C168H174F6N26O15S6 |
| Molecular Weight | 3103.80 g/mol |
| Exact Mass | 3101.19 |
| IUPAC Name | N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]-3-methylphenyl]propane-1-sulfonamide |
| SMILES | CC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cc(C)ccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C(F)(F)F)n4)cc3n2CC2CC2)c(C)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C)n4)cc3n2CC2CC2)c(C)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2CC2CC2)c(C)c1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(N3CCCCC3)ccc12 |
| InChI | InChI=1S/C29H27F3N4O3S.C28H26F3N5O3S.C28H29N5O3S.C28H34N4O2S.C28H28N4O2S.C27H30N4O2S/c1-3-13-40(37,38)35-20-8-10-22(18(2)14-20)27-24(16-33)23-11-9-21(15-26(23)36(27)17-19-6-7-19)39-28-25(29(30,31)32)5-4-12-34-28;1-3-12-40(37,38)35-19-6-8-21(17(2)13-19)26-23(15-32)22-9-7-20(14-24(22)36(26)16-18-4-5-18)39-27-33-11-10-25(34-27)28(29,30)31;1-4-13-37(34,35)32-21-7-9-23(18(2)14-21)27-25(16-29)24-10-8-22(36-28-30-12-11-19(3)31-28)15-26(24)33(27)17-20-5-6-20;1-20(2)19-35(33,34)30-22-11-9-21(10-12-22)28-26(18-29)25-14-13-24(31-15-4-3-5-16-31)17-27(25)32(28)23-7-6-8-23;1-3-15-35(33,34)31-22-10-7-20(8-11-22)28-25(18-29)24-12-9-21(26-16-19(2)13-14-30-26)17-27(24)32(28)23-5-4-6-23;28-18-25-24-14-11-22(30-15-2-1-3-16-30)17-26(24)31(21-5-4-6-21)27(25)19-7-9-20(10-8-19)29-34(32,33)23-12-13-23/h4-5,8-12,14-15,19,35H,3,6-7,13,17H2,1-2H3;6-11,13-14,18,35H,3-5,12,16H2,1-2H3;7-12,14-15,20,32H,4-6,13,17H2,1-3H3;9-14,17,20,23,30H,3-8,15-16,19H2,1-2H3;7-14,16-17,23,31H,3-6,15H2,1-2H3;7-11,14,17,21,23,29H,1-6,12-13,15-16H2 |
| InChIKey | NNVIQZQZAYCHID-UHFFFAOYSA-N |
| XLogP | 38.37 |
| TPSA | 560.85 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 221 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3103.80 |
| LogP ≤ 5 | 38.37 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 35 |