About 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (PubChem CID 167566696) has the molecular formula C102H129Cl4N31O18
and a molecular weight of 2219.16 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
The IUPAC name of 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (CID 167566696) is 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.
What is the SMILES notation for 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
The canonical SMILES for 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3c(C)nn4C3CCCCO3)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4c3c(C)nn4C3CCCCO3)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4n[nH]c(C)c34)c2)cc(OC)c1OC.Cc1nn(C2CCCCO2)c2nc(Cl)nc(Cl)c12.Cl.OC[C@@H]1CCCN1.
What is the InChIKey of 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
The InChIKey is UHBUMJVBEVYWFB-XCZJSFKPSA-N. The full InChI is InChI=1S/C28H36N8O5.C23H26ClN7O4.C23H28N8O4.C12H15N3O3.C11H12Cl2N4O.C5H11NO.ClH/c1-17-24-26(30-22-14-34(16-29-22)19-12-20(38-2)25(40-4)21(13-19)39-3)31-28(35-10-7-8-18(35)15-37)32-27(24)36(33-17)23-9-5-6-11-41-23;1-13-19-21(27-23(24)28-22(19)31(29-13)18-7-5-6-8-35-18)26-17-11-30(12-25-17)14-9-15(32-2)20(34-4)16(10-14)33-3;1-13-19-21(26-23(27-22(19)29-28-13)31-7-5-6-14(31)11-32)25-18-10-30(12-24-18)15-8-16(33-2)20(35-4)17(9-15)34-3;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-6-8-9(12)14-11(13)15-10(8)17(16-6)7-4-2-3-5-18-7;7-4-5-2-1-3-6-5;/h12-14,16,18,23,37H,5-11,15H2,1-4H3,(H,30,31,32);9-12,18H,5-8H2,1-4H3,(H,26,27,28);8-10,12,14,32H,5-7,11H2,1-4H3,(H2,25,26,27,28,29);4-7H,13H2,1-3H3;7H,2-5H2,1H3;5-7H,1-4H2;1H/t18-,23?;;14-;;;5-;/m0.0..0./s1.
What are the key properties of 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride has a molecular weight of 2219.16 g/mol, XLogP of 15.54, 30 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-(oxan-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[3-methyl-1-(oxan-2-yl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-1-[3-methyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is sourced from PubChem (CID 167566696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).