C133H111F31N24O19S6 — CID 161437501
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-4-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-7-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 161437501) has the molecular formula C133H111F31N24O19S6 and a molecular weight of 3130.84 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-4-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-7-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.
| Compound Name | 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-4-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-7-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide |
|---|---|
| PubChem CID | 161437501 |
| Molecular Formula | C133H111F31N24O19S6 |
| Molecular Weight | 3130.84 g/mol |
| Exact Mass | 3128.63 |
| IUPAC Name | 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-4-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-7-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-hydroxyindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide |
| SMILES | Cc1c(F)c(OC(F)F)cc2c1c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.Cc1c(OC(F)F)c(F)cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c12.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2cc(O)c(F)cc12.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2cc(OC(F)F)c(F)cc12.N#Cc1c(-c2ccc(S(N)(=O)=O)cn2)n(CC2CC2)c2cc(OC(F)F)c(F)cc12.NC(=O)c1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2cc(OC(F)F)c(F)cc12 |
| InChI | InChI=1S/C23H20F6N4O4S.C23H18F6N4O3S.2C23H20F6N4O3S.C22H18F4N4O3S.C19H15F3N4O3S/c24-14-8-13-16(9-17(14)37-21(25)26)33(11-2-1-3-11)19(18(13)20(30)34)15-5-4-12(10-31-15)38(35,36)32-22(6-7-22)23(27,28)29;24-16-8-14-15(10-30)20(33(12-2-1-3-12)18(14)9-19(16)36-21(25)26)17-5-4-13(11-31-17)37(34,35)32-22(6-7-22)23(27,28)29;1-11-19-15(9-30)21(16-7-6-14(10-31-16)37(34,35)32-12(2)23(27,28)29)33(13-4-3-5-13)17(19)8-18(20(11)24)36-22(25)26;1-11-19-15(8-17(24)21(11)36-22(25)26)16(9-30)20(33(19)13-4-3-5-13)18-7-6-14(10-31-18)37(34,35)32-12(2)23(27,28)29;23-16-8-14-15(10-27)20(30(12-2-1-3-12)18(14)9-19(16)31)17-5-4-13(11-28-17)34(32,33)29-21(6-7-21)22(24,25)26;20-14-5-12-13(7-23)18(15-4-3-11(8-25-15)30(24,27)28)26(9-10-1-2-10)16(12)6-17(14)29-19(21)22/h4-5,8-11,21,32H,1-3,6-7H2,(H2,30,34);4-5,8-9,11-12,21,32H,1-3,6-7H2;2*6-8,10,12-13,22,32H,3-5H2,1-2H3;4-5,8-9,11-12,29,31H,1-3,6-7H2;3-6,8,10,19H,1-2,9H2,(H2,24,27,28)/t;;2*12-;;/m..00../s1 |
| InChIKey | VYVMFLXLEAZKMI-LGIQGDGMSA-N |
| XLogP | 29.10 |
| TPSA | 626.35 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 213 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3130.84 |
| LogP ≤ 5 | 29.10 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 36 |