About [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
[(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (PubChem CID 167575281) has the molecular formula C155H242Cl5N37O17Si4
and a molecular weight of 3185.49 g/mol. Its IUPAC name is [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;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 [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
The IUPAC name of [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (CID 167575281) is [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;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 [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
The canonical SMILES for [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is CC(C)(C)OC(=O)NC1CCC(O)CC1.CC(C)(C)[Si](C)(C)OCC1CCCC1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4c(C)nn(C5CCC(N)CC5)c4n3)c2)cc(C)c1C.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CCC(NC(=O)OC(C)(C)C)CC5)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(C2CCC(NC(=O)OC(C)(C)C)CC2)c2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12.Cl.
What is the InChIKey of [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
The InChIKey is XPASSBUJIYADGR-XXMNSNJDSA-N. The full InChI is InChI=1S/C40H61N9O4Si.C29H39N9O2.C28H47ClN6O3Si.C17H28ClN5OSi.C12H15N3O3.C12H26OSi.C11H21NO3.C6H4Cl2N4.ClH/c1-25-20-31(21-32(51-10)26(25)2)47-22-33(41-24-47)43-37-44-35(48-19-13-14-30(48)23-52-54(11,12)40(7,8)9)34-27(3)46-49(36(34)45-37)29-17-15-28(16-18-29)42-38(50)53-39(4,5)6;1-17-12-23(13-24(40-4)18(17)2)36-14-25(31-16-36)32-29-33-27(37-11-5-6-22(37)15-39)26-19(3)35-38(28(26)34-29)21-9-7-20(30)8-10-21;1-18-22-23(34-16-10-11-21(34)17-37-39(8,9)28(5,6)7)31-25(29)32-24(22)35(33-18)20-14-12-19(13-15-20)30-26(36)38-27(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;1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8;1-2-3-4(7)9-6(8)10-5(3)12-11-2;/h20-22,24,28-30H,13-19,23H2,1-12H3,(H,42,50)(H,43,44,45);12-14,16,20-22,39H,5-11,15,30H2,1-4H3,(H,32,33,34);19-21H,10-17H2,1-9H3,(H,30,36);12H,7-10H2,1-6H3,(H,19,20,21,22);4-7H,13H2,1-3H3;11H,6-10H2,1-5H3;8-9,13H,4-7H2,1-3H3,(H,12,14);1H3,(H,9,10,11,12);1H/t28?,29?,30-;20?,21?,22-;19?,20?,21-;12-;;;;;/m0000...../s1.
What are the key properties of [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?
[(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;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 3185.49 g/mol, XLogP of 33.76, 35 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[1-(4-aminocyclohexyl)-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclohexyl]carbamate;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-(cyclopentylmethoxy)-dimethylsilane;tert-butyl N-(4-hydroxycyclohexyl)carbamate;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 167575281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).