About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161124361) has the molecular formula C132H173B2Cl3N22O17Si2
and a molecular weight of 2524.13 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.
Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 161124361) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is CC(C)c1cnn2c(Cl)cc(-c3cnc4[nH]ccc4c3)nc12.CC(C)c1cnn2c(Cl)cc(Cl)nc12.CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.CCCC(O)COc1cc(OC)cc(-c2cc(-c3cnc4[nH]ccc4c3)nc3c(C(C)C)cnn23)c1.COc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(-c3cnc4[nH]ccc4c3)nc3c(C(C)C)cnn23)c1.COc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ULJBKILLLDQGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52N6O5Si.C28H50BNO7Si.C28H31N5O3.C16H14ClN5.C13H17BN2O2.C9H9Cl2N3/c1-24(2)31-21-41-44-33(19-32(42-35(31)44)27-15-25-13-14-39-34(25)40-20-27)26-16-28(46-10)18-29(17-26)47-23-30(49-50(11,12)38(6,7)8)22-43(9)36(45)48-37(3,4)5;1-25(2,3)34-24(31)30(11)18-23(35-38(13,14)26(4,5)6)19-33-22-16-20(15-21(17-22)32-12)29-36-27(7,8)28(9,10)37-29;1-5-6-21(34)16-36-23-11-19(10-22(12-23)35-4)26-13-25(20-9-18-7-8-29-27(18)30-14-20)32-28-24(17(2)3)15-31-33(26)28;1-9(2)12-8-20-22-14(17)6-13(21-16(12)22)11-5-10-3-4-18-15(10)19-7-11;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14/h13-21,24,30H,22-23H2,1-12H3,(H,39,40);15-17,23H,18-19H2,1-14H3;7-15,17,21,34H,5-6,16H2,1-4H3,(H,29,30);3-9H,1-2H3,(H,18,19);5-8H,1-4H3,(H,15,16);3-5H,1-2H3.
What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2524.13 g/mol, XLogP of 29.02, 33 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161124361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).