About tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride
tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride (PubChem CID 157144373) has the molecular formula C143H185BCl4F4N40O8
and a molecular weight of 2820.94 g/mol. Its IUPAC name is tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride?
The IUPAC name of tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride (CID 157144373) is tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride.
What is the SMILES notation for tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride?
The canonical SMILES for tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride is Cc1nn(CC23CCC(N)(CC2)CC3)c2c1CN(c1nc(-c3ccc(F)cc3)nc3c1cnn3C)CC2.Cc1nn(CC23CCC(N)(CC2)CC3)c2c1CN(c1nc(F)nc3c1cnn3C)CC2.Cc1nn(CC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)c2c1CN(c1nc(-c3ccc(F)cc3)nc3c1cnn3C)CC2.Cc1nn(CC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)c2c1CN(c1nc(Cl)nc3c1cnn3C)CC2.Cc1nn(CC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)c2c1CNCC2.Cl.Cn1ncc2c(Cl)nc(Cl)nc21.OB(O)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride?
The InChIKey is TZYCXFPCFWRCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41FN8O2.C28H33FN8.C27H37ClN8O2.C22H29FN8.C21H34N4O2.C6H6BFO2.C6H4Cl2N4.ClH/c1-21-25-19-41(29-24-18-35-40(5)28(24)36-27(37-29)22-6-8-23(34)9-7-22)17-10-26(25)42(39-21)20-32-11-14-33(15-12-32,16-13-32)38-30(43)44-31(2,3)4;1-18-22-16-36(14-7-23(22)37(34-18)17-27-8-11-28(30,12-9-27)13-10-27)26-21-15-31-35(2)25(21)32-24(33-26)19-3-5-20(29)6-4-19;1-17-19-15-35(22-18-14-29-34(5)21(18)30-23(28)31-22)13-6-20(19)36(33-17)16-26-7-10-27(11-8-26,12-9-26)32-24(37)38-25(2,3)4;1-14-16-12-30(19-15-11-25-29(2)18(15)26-20(23)27-19)10-3-17(16)31(28-14)13-21-4-7-22(24,8-5-21)9-6-21;1-15-16-13-22-12-5-17(16)25(24-15)14-20-6-9-21(10-7-20,11-8-20)23-18(26)27-19(2,3)4;8-6-3-1-5(2-4-6)7(9)10;1-12-5-3(2-9-12)4(7)10-6(8)11-5;/h6-9,18H,10-17,19-20H2,1-5H3,(H,38,43);3-6,15H,7-14,16-17,30H2,1-2H3;14H,6-13,15-16H2,1-5H3,(H,32,37);11H,3-10,12-13,24H2,1-2H3;22H,5-14H2,1-4H3,(H,23,26);1-4,9-10H;2H,1H3;1H.
What are the key properties of tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride?
tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride has a molecular weight of 2820.94 g/mol, XLogP of 22.52, 20 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[5-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;4-[[5-(6-fluoro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;(4-fluorophenyl)boronic acid;4-[[5-[6-(4-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine;hydrochloride is sourced from PubChem (CID 157144373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).