About 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158558273) has the molecular formula C201H236B3Br5IN39O32S5
and a molecular weight of 4429.53 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
Frequently Asked Questions
What is the IUPAC name of 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158558273) is 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(Br)n2)C1.CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(Br)n2)C1.CN(C(=O)OC(C)(C)C)C1CCNC1.Cc1nn(C)cc1-c1cc2cc(-c3cccc(C(=O)N4CCC(N(C)C(=O)OC(C)(C)C)C4)n3)cnc2n1C.Cc1nn(C)cc1-c1cc2cc(-c3cccc(C(=O)N4CCC(N(C)C(=O)OC(C)(C)C)C4)n3)cnc2n1S(=O)(=O)c1ccccc1.Cc1nn(C)cc1-c1cc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1S(=O)(=O)c1ccccc1.Cc1nn(C)cc1-c1cc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1S(=O)(=O)c1ccccc1.Cc1nn(C)cc1-c1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.O=C(O)c1cccc(Br)n1.O=S(=O)(c1ccccc1)n1c(I)cc2cc(Br)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is HQOGYNJGBSCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7O5S.C29H35N7O3.2C24H27BN4O4S.C18H15BrN4O2S.2C16H22BrN3O3.C13H8BrIN2O2S.C11H19BN2O2.C10H20N2O2.C6H4BrNO2/c1-22-27(21-38(5)37-22)30-18-23-17-24(19-35-31(23)41(30)47(44,45)26-11-8-7-9-12-26)28-13-10-14-29(36-28)32(42)40-16-15-25(20-40)39(6)33(43)46-34(2,3)4;1-18-22(17-33(5)32-18)25-14-19-13-20(15-30-26(19)35(25)7)23-9-8-10-24(31-23)27(37)36-12-11-21(16-36)34(6)28(38)39-29(2,3)4;2*1-16-20(15-28(6)27-16)21-13-17-12-18(25-32-23(2,3)24(4,5)33-25)14-26-22(17)29(21)34(30,31)19-10-8-7-9-11-19;1-12-16(11-22(2)21-12)17-9-13-8-14(19)10-20-18(13)23(17)26(24,25)15-6-4-3-5-7-15;2*1-16(2,3)23-15(22)19(4)11-8-9-20(10-11)14(21)12-6-5-7-13(17)18-12;14-10-6-9-7-12(15)17(13(9)16-8-10)20(18,19)11-4-2-1-3-5-11;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;1-10(2,3)14-9(13)12(4)8-5-6-11-7-8;7-5-3-1-2-4(8-5)6(9)10/h7-14,17-19,21,25H,15-16,20H2,1-6H3;8-10,13-15,17,21H,11-12,16H2,1-7H3;2*7-15H,1-6H3;3-11H,1-2H3;2*5-7,11H,8-10H2,1-4H3;1-8H;7H,1-6H3;8,11H,5-7H2,1-4H3;1-3H,(H,9,10).
What are the key properties of 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 4429.53 g/mol, XLogP of 33.14, 30 rotatable bonds, 2 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-bromo-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine;bis(1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carboxylic acid;tert-butyl N-[1-[6-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;bis(tert-butyl N-[1-(6-bromopyridine-2-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate);tert-butyl N-[1-[6-[2-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158558273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).