tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C132H209Cl2N29O14Si6 — CID 167561444

IUPACtert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OC1CC(O)C1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4c(C)nn(C5CC(O)C5)c4n3)c2)cc(C)c1C.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CC(O[Si](C)(C)C(C)(C)C)C5)c4n3)c2)cc(C)c1C.Cc1[nH]nc2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12.Cc1nn(C2CC(O[Si](C)(C)C(C)(C)C)C2)c2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12
InChIInChI=1S/C39H62N8O3Si2.C27H48ClN5O2Si2.C27H34N8O3.C17H28ClN5OSi.C12H15N3O3.C10H22O2Si/c1-25-18-29(21-32(48-10)26(25)2)45-22-33(40-24-45)41-37-42-35(46-17-15-16-28(46)23-49-51(11,12)38(4,5)6)34-27(3)44-47(36(34)43-37)30-19-31(20-30)50-52(13,14)39(7,8)9;1-18-22-23(32-14-12-13-19(32)17-34-36(8,9)26(2,3)4)29-25(28)30-24(22)33(31-18)20-15-21(16-20)35-37(10,11)27(5,6)7;1-15-8-19(11-22(38-4)16(15)2)33-12-23(28-14-33)29-27-30-25(34-7-5-6-18(34)13-36)24-17(3)32-35(26(24)31-27)20-9-21(37)10-20;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;1-10(2,3)13(4,5)12-9-6-8(11)7-9/h18,21-22,24,28,30-31H,15-17,19-20,23H2,1-14H3,(H,41,42,43);19-21H,12-17H2,1-11H3;8,11-12,14,18,20-21,36-37H,5-7,9-10,13H2,1-4H3,(H,29,30,31);12H,7-10H2,1-6H3,(H,19,20,21,22);4-7H,13H2,1-3H3;8-9,11H,6-7H2,1-5H3/t28-,30?,31?;19-,20?,21?;18-,20?,21?;12-;;/m0000../s1
InChIKeyDSCPFVGLOLOPMI-VIJMOXOASA-N
MW2665.73 g/mol
LogP28.57
Rot. Bonds35

About tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167561444) has the molecular formula C132H209Cl2N29O14Si6 and a molecular weight of 2665.73 g/mol. Its IUPAC name is tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Nametert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
PubChem CID167561444
Molecular FormulaC132H209Cl2N29O14Si6
Molecular Weight2665.73 g/mol
Exact Mass2662.45
IUPAC Nametert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OC1CC(O)C1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4c(C)nn(C5CC(O)C5)c4n3)c2)cc(C)c1C.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CC(O[Si](C)(C)C(C)(C)C)C5)c4n3)c2)cc(C)c1C.Cc1[nH]nc2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12.Cc1nn(C2CC(O[Si](C)(C)C(C)(C)C)C2)c2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12
InChIInChI=1S/C39H62N8O3Si2.C27H48ClN5O2Si2.C27H34N8O3.C17H28ClN5OSi.C12H15N3O3.C10H22O2Si/c1-25-18-29(21-32(48-10)26(25)2)45-22-33(40-24-45)41-37-42-35(46-17-15-16-28(46)23-49-51(11,12)38(4,5)6)34-27(3)44-47(36(34)43-37)30-19-31(20-30)50-52(13,14)39(7,8)9;1-18-22-23(32-14-12-13-19(32)17-34-36(8,9)26(2,3)4)29-25(28)30-24(22)33(31-18)20-15-21(16-20)35-37(10,11)27(5,6)7;1-15-8-19(11-22(38-4)16(15)2)33-12-23(28-14-33)29-27-30-25(34-7-5-6-18(34)13-36)24-17(3)32-35(26(24)31-27)20-9-21(37)10-20;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;1-10(2,3)13(4,5)12-9-6-8(11)7-9/h18,21-22,24,28,30-31H,15-17,19-20,23H2,1-14H3,(H,41,42,43);19-21H,12-17H2,1-11H3;8,11-12,14,18,20-21,36-37H,5-7,9-10,13H2,1-4H3,(H,29,30,31);12H,7-10H2,1-6H3,(H,19,20,21,22);4-7H,13H2,1-3H3;8-9,11H,6-7H2,1-5H3/t28-,30?,31?;19-,20?,21?;18-,20?,21?;12-;;/m0000../s1
InChIKeyDSCPFVGLOLOPMI-VIJMOXOASA-N
XLogP28.57
TPSA463.98 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds35
Heavy Atoms183
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002665.73
LogP ≤ 528.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167561444) is tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is CC(C)(C)[Si](C)(C)OC1CC(O)C1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4c(C)nn(C5CC(O)C5)c4n3)c2)cc(C)c1C.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CC(O[Si](C)(C)C(C)(C)C)C5)c4n3)c2)cc(C)c1C.Cc1[nH]nc2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12.Cc1nn(C2CC(O[Si](C)(C)C(C)(C)C)C2)c2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12.
What is the InChIKey of tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is DSCPFVGLOLOPMI-VIJMOXOASA-N. The full InChI is InChI=1S/C39H62N8O3Si2.C27H48ClN5O2Si2.C27H34N8O3.C17H28ClN5OSi.C12H15N3O3.C10H22O2Si/c1-25-18-29(21-32(48-10)26(25)2)45-22-33(40-24-45)41-37-42-35(46-17-15-16-28(46)23-49-51(11,12)38(4,5)6)34-27(3)44-47(36(34)43-37)30-19-31(20-30)50-52(13,14)39(7,8)9;1-18-22-23(32-14-12-13-19(32)17-34-36(8,9)26(2,3)4)29-25(28)30-24(22)33(31-18)20-15-21(16-20)35-37(10,11)27(5,6)7;1-15-8-19(11-22(38-4)16(15)2)33-12-23(28-14-33)29-27-30-25(34-7-5-6-18(34)13-36)24-17(3)32-35(26(24)31-27)20-9-21(37)10-20;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;1-10(2,3)13(4,5)12-9-6-8(11)7-9/h18,21-22,24,28,30-31H,15-17,19-20,23H2,1-14H3,(H,41,42,43);19-21H,12-17H2,1-11H3;8,11-12,14,18,20-21,36-37H,5-7,9-10,13H2,1-4H3,(H,29,30,31);12H,7-10H2,1-6H3,(H,19,20,21,22);4-7H,13H2,1-3H3;8-9,11H,6-7H2,1-5H3/t28-,30?,31?;19-,20?,21?;18-,20?,21?;12-;;/m0000../s1.
What are the key properties of tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 2665.73 g/mol, XLogP of 28.57, 35 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-1-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-6-chloro-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxycyclobutan-1-ol;1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]cyclobutan-1-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167561444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).