About 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (PubChem CID 161134010) has the molecular formula C124H116ClF18N31O12S6
and a molecular weight of 2802.32 g/mol. Its IUPAC name is 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.
Frequently Asked Questions
What is the IUPAC name of 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The IUPAC name of 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (CID 161134010) is 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The canonical SMILES for 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cc1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ncc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ncc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCC1.
What is the InChIKey of 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The InChIKey is UMODITZQGGJLJE-DBWICHBHSA-N. The full InChI is InChI=1S/C22H21F3N4O2S.2C21H20F3N5O2S.C20H17ClF3N5O2S.2C20H19F3N6O2S/c1-13-10-18-19(11-26)20(29(16-4-3-5-16)21(18)27-12-13)15-6-8-17(9-7-15)32(30,31)28-14(2)22(23,24)25;2*1-12-8-16-17(9-25)19(29(14-4-3-5-14)20(16)27-10-12)18-7-6-15(11-26-18)32(30,31)28-13(2)21(22,23)24;1-11(20(22,23)24)28-32(30,31)14-5-6-17(26-10-14)18-16(8-25)15-7-12(21)9-27-19(15)29(18)13-3-2-4-13;2*1-11-6-15-16(7-24)17(29(13-4-3-5-13)19(15)27-8-11)18-25-9-14(10-26-18)32(30,31)28-12(2)20(21,22)23/h6-10,12,14,16,28H,3-5H2,1-2H3;2*6-8,10-11,13-14,28H,3-5H2,1-2H3;5-7,9-11,13,28H,2-4H2,1H3;2*6,8-10,12-13,28H,3-5H2,1-2H3/t14-;2*13-;11-;2*12-/m110010/s1.
What are the key properties of 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide has a molecular weight of 2802.32 g/mol, XLogP of 25.13, 30 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 161134010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).