About trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide
trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide (PubChem CID 164964720) has the molecular formula C131H155BrClF9N23Na3O21S4
and a molecular weight of 2871.40 g/mol. Its IUPAC name is trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide.
Frequently Asked Questions
What is the IUPAC name of trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide?
The IUPAC name of trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide (CID 164964720) is trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide.
What is the SMILES notation for trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide?
The canonical SMILES for trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide is Br.C1CCOC1.CC(=O)NCC(F)(F)F.CO.Cc1cnc2[nH]ccc2c1N[C@H]1CN(C(=O)NCC(F)(F)F)C[C@H]1C1CC1.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1N[C@H]1CN(C(=O)NCC(F)(F)F)C[C@H]1C1CC1.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1N[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1C1CC1.Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1N[C@H]1CNC[C@H]1C1CC1.N[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1C1CC1.O=CO[O-].[H-].[Na+].[Na+].[Na+].[OH-].
What is the InChIKey of trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide?
The InChIKey is CXQMEIISNCJNDC-DBWGXBJKSA-L. The full InChI is InChI=1S/C29H30N4O4S.C24H26F3N5O3S.C21H24N4O2S.C18H22F3N5O.C15H20N2O2.C14H11ClN2O2S.C4H6F3NO.C4H8O.CH2O3.CH4O.BrH.3Na.H2O.H/c1-20-16-30-28-24(14-15-33(28)38(35,36)23-10-6-3-7-11-23)27(20)31-26-18-32(17-25(26)22-12-13-22)29(34)37-19-21-8-4-2-5-9-21;1-15-11-28-22-18(9-10-32(22)36(34,35)17-5-3-2-4-6-17)21(15)30-20-13-31(12-19(20)16-7-8-16)23(33)29-14-24(25,26)27;1-14-11-23-21-17(20(14)24-19-13-22-12-18(19)15-7-8-15)9-10-25(21)28(26,27)16-5-3-2-4-6-16;1-10-6-23-16-12(4-5-22-16)15(10)25-14-8-26(7-13(14)11-2-3-11)17(27)24-9-18(19,20)21;16-14-9-17(8-13(14)12-6-7-12)15(18)19-10-11-4-2-1-3-5-11;1-10-9-16-14-12(13(10)15)7-8-17(14)20(18,19)11-5-3-2-4-6-11;1-3(9)8-2-4(5,6)7;1-2-4-5-3-1;2-1-4-3;1-2;;;;;;/h2-11,14-16,22,25-26H,12-13,17-19H2,1H3,(H,30,31);2-6,9-11,16,19-20H,7-8,12-14H2,1H3,(H,28,30)(H,29,33);2-6,9-11,15,18-19,22H,7-8,12-13H2,1H3,(H,23,24);4-6,11,13-14H,2-3,7-9H2,1H3,(H,24,27)(H2,22,23,25);1-5,12-14H,6-10,16H2;2-9H,1H3;2H2,1H3,(H,8,9);1-4H2;1,3H;2H,1H3;1H;;;;1H2;/q;;;;;;;;;;;3*+1;;-1/p-2/t25-,26-;19-,20-;18-,19-;2*13-,14-;;;;;;;;;;;/m00000.........../s1.
What are the key properties of trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide?
trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide has a molecular weight of 2871.40 g/mol, XLogP of 11.55, 29 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;1-(benzenesulfonyl)-4-chloro-5-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-N-[(3R,4R)-4-cyclopropylpyrrolidin-3-yl]-5-methylpyrrolo[2,3-b]pyridin-4-amine;(3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;benzyl (3R,4R)-3-amino-4-cyclopropylpyrrolidine-1-carboxylate;benzyl (3R,4R)-3-[[1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-cyclopropylpyrrolidine-1-carboxylate;(3R,4R)-3-cyclopropyl-4-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;hydride;methanol;oxido formate;oxolane;N-(2,2,2-trifluoroethyl)acetamide;hydroxide;hydrobromide is sourced from PubChem (CID 164964720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).