About 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate
2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate (PubChem CID 158742930) has the molecular formula C134H130F23N23O19S7
and a molecular weight of 3028.08 g/mol. Its IUPAC name is 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate?
The IUPAC name of 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate (CID 158742930) is 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate.
What is the SMILES notation for 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate?
The canonical SMILES for 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate is COC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cn2)n(C2CCC2)c2cc(C)c(F)cc12.COC(=O)c1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2)n(C2CCC2)c2cc(C)c(F)cc12.COC(=O)c1c(-c2ncc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2)n(C2CCC2)c2cc(C)c(F)cc12.CSc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3c(F)cc(OC(F)F)cc3n2CC2CC2)nc1)C(F)(F)F.Cc1cc2c(cc1F)c(C#N)c(-c1ncc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.
What is the InChIKey of 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate?
The InChIKey is IMNHTYOBHLVJOK-PBQMJUNKSA-N. The full InChI is InChI=1S/C24H28FN3O4S.C23H23F4N3O4S.C22H18F6N4O3S.C22H22F4N4O4S.C22H20F4N4O2S2.C21H19F4N5O2S/c1-14-11-20-17(12-18(14)25)21(23(29)32-5)22(28(20)15-7-6-8-15)19-10-9-16(13-26-19)33(30,31)27-24(2,3)4;1-12-9-19-16(10-17(12)24)20(22(31)34-3)21(30(19)14-5-4-6-14)18-8-7-15(11-28-18)35(32,33)29-13(2)23(25,26)27;1-11(22(26,27)28)31-36(33,34)14-4-5-17(30-9-14)20-15(8-29)19-16(23)6-13(35-21(24)25)7-18(19)32(20)10-12-2-3-12;1-11-7-17-15(8-16(11)23)18(21(31)34-3)19(30(17)13-5-4-6-13)20-27-9-14(10-28-20)35(32,33)29-12(2)22(24,25)26;1-12(22(24,25)26)29-34(31,32)14-6-7-18(28-11-14)21-16(10-27)15-8-17(23)20(33-2)9-19(15)30(21)13-4-3-5-13;1-11-6-18-15(7-17(11)22)16(8-26)19(30(18)13-4-3-5-13)20-27-9-14(10-28-20)33(31,32)29-12(2)21(23,24)25/h9-13,15,27H,6-8H2,1-5H3;7-11,13-14,29H,4-6H2,1-3H3;4-7,9,11-12,21,31H,2-3,10H2,1H3;7-10,12-13,29H,4-6H2,1-3H3;6-9,11-13,29H,3-5H2,1-2H3;6-7,9-10,12-13,29H,3-5H2,1-2H3/t;13-;11-;3*12-/m.00000/s1.
What are the key properties of 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate?
2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate has a molecular weight of 3028.08 g/mol, XLogP of 28.63, 36 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylsulfanylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methyl 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-5-fluoro-6-methylindole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclobutyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxylate is sourced from PubChem (CID 158742930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).