About tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (PubChem CID 167553880) has the molecular formula C132H198Cl5N33O11Si4
and a molecular weight of 2712.86 g/mol. Its IUPAC name is tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
The IUPAC name of tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (CID 167553880) is tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.
What is the SMILES notation for tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
The canonical SMILES for tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is CC(C)(C)[Si](C)(C)OCC1CCCC1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@@H]4CO)c4c(C)nn(C5CCC5)c4n3)c2)cc(C)c1C.COc1cc(-n2cnc(Nc3nc(N4CCC[C@@H]4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CCC5)c4n3)c2)cc(C)c1C.Cc1[nH]nc2nc(Cl)nc(Cl)c12.Cc1[nH]nc2nc(Cl)nc(N3CCC[C@@H]3CO[Si](C)(C)C(C)(C)C)c12.Cc1nn(C2CCC2)c2nc(Cl)nc(N3CCC[C@@H]3CO[Si](C)(C)C(C)(C)C)c12.Cl.OC1CCC1.
What is the InChIKey of tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
The InChIKey is HPNHZZOWSASKCF-HENSIFSSSA-N. The full InChI is InChI=1S/C33H48N8O2Si.C27H34N8O2.C21H34ClN5OSi.C17H28ClN5OSi.C12H15N3O3.C12H26OSi.C6H4Cl2N4.C4H8O.ClH/c1-21-16-26(17-27(42-7)22(21)2)39-18-28(34-20-39)35-32-36-30(29-23(3)38-41(31(29)37-32)24-12-10-13-24)40-15-11-14-25(40)19-43-44(8,9)33(4,5)6;1-16-11-21(12-22(37-4)17(16)2)33-13-23(28-15-33)29-27-30-25(34-10-6-9-20(34)14-36)24-18(3)32-35(26(24)31-27)19-7-5-8-19;1-14-17-18(23-20(22)24-19(17)27(25-14)15-9-7-10-15)26-12-8-11-16(26)13-28-29(5,6)21(2,3)4;1-11-13-14(22-21-11)19-16(18)20-15(13)23-9-7-8-12(23)10-24-25(5,6)17(2,3)4;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-12(2,3)14(4,5)13-10-11-8-6-7-9-11;1-2-3-4(7)9-6(8)10-5(3)12-11-2;5-4-2-1-3-4;/h16-18,20,24-25H,10-15,19H2,1-9H3,(H,35,36,37);11-13,15,19-20,36H,5-10,14H2,1-4H3,(H,29,30,31);15-16H,7-13H2,1-6H3;12H,7-10H2,1-6H3,(H,19,20,21,22);4-7H,13H2,1-3H3;11H,6-10H2,1-5H3;1H3,(H,9,10,11,12);4-5H,1-3H2;1H/t25-;20-;16-;12-;;;;;/m1111...../s1.
What are the key properties of tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride has a molecular weight of 2712.86 g/mol, XLogP of 30.19, 32 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R)-1-(6-chloro-1-cyclobutyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2R)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclobutyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclobutanol;[(2R)-1-[1-cyclobutyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is sourced from PubChem (CID 167553880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).