About 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 159214315) has the molecular formula C135H142F15N23O20S11
and a molecular weight of 3044.47 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 159214315) is 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)(NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cccnc3n2C2CCC2)cc1)C(F)(F)F.CSc1cnc2c(c1)c(C(=O)O)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1.CSc1cnc2c(c1)c(C(=O)O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.CSc1cnc2c(c1)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCC1.CSc1cnc2c(c1)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cc1)n2C1CCC1.CSc1cnc2c(c1)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1.
What is the InChIKey of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is KQWKJBRTWUQXPB-MBXGFZHQSA-N. The full InChI is InChI=1S/C23H23F3N4O3S2.C23H25F3N4O3S2.C23H22F3N3O4S2.C23H28N4O3S2.C22H23F3N4O3S.C21H21F3N4O4S2/c1-34-15-11-17-18(20(27)31)19(30(14-3-2-4-14)21(17)28-12-15)13-5-7-16(8-6-13)35(32,33)29-22(9-10-22)23(24,25)26;1-22(2,23(24,25)26)29-35(32,33)16-9-7-13(8-10-16)19-18(20(27)31)17-11-15(34-3)12-28-21(17)30(19)14-5-4-6-14;1-34-15-11-17-18(21(30)31)19(29(14-3-2-4-14)20(17)27-12-15)13-5-7-16(8-6-13)35(32,33)28-22(9-10-22)23(24,25)26;1-23(2,3)32(29,30)26-15-10-8-14(9-11-15)20-19(21(24)28)18-12-17(31-4)13-25-22(18)27(20)16-6-5-7-16;1-21(2,22(23,24)25)28-33(31,32)15-10-8-13(9-11-15)18-17(19(26)30)16-7-4-12-27-20(16)29(18)14-5-3-6-14;1-11(21(22,23)24)27-34(31,32)14-6-7-16(25-10-14)18-17(20(29)30)15-8-13(33-2)9-26-19(15)28(18)12-4-3-5-12/h5-8,11-12,14,29H,2-4,9-10H2,1H3,(H2,27,31);7-12,14,29H,4-6H2,1-3H3,(H2,27,31);5-8,11-12,14,28H,2-4,9-10H2,1H3,(H,30,31);8-13,16,26H,5-7H2,1-4H3,(H2,24,28);4,7-12,14,28H,3,5-6H2,1-2H3,(H2,26,30);6-12,27H,3-5H2,1-2H3,(H,29,30)/t;;;;;11-/m.....0/s1.
What are the key properties of 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 3044.47 g/mol, XLogP of 28.12, 40 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 159214315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).