tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine

C132H188ClN27O18Si3 — CID 159049679

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine (PubChem CID 159049679) has the molecular formula C132H188ClN27O18Si3 and a molecular weight of 2560.84 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine.

Molecular Properties

• Compound Name: tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine
• PubChem CID: 159049679
• Molecular Formula: C132H188ClN27O18Si3
• Molecular Weight: 2560.84 g/mol
• Exact Mass: 2558.36
• IUPAC Name: tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine
• SMILES: CCCC(O)COc1cc(OC)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1.COc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(Cl)c3cnn(C(C)C)c3n2)c1.COc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1.COc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(Nc3cncnc3)c3cnn(C(C)C)c3n2)c1.Nc1cncnc1
• InChI: InChI=1S/C36H53N7O5Si.C35H51N7O5Si.C31H47ClN4O5Si.C26H32N6O3.C4H5N3/c1-24(2)43-33-30(20-39-43)32(42(10)26-18-37-23-38-19-26)17-31(40-33)25-14-27(45-11)16-28(15-25)46-22-29(48-49(12,13)36(6,7)8)21-41(9)34(44)47-35(3,4)5;1-23(2)42-32-29(19-38-42)31(39-25-17-36-22-37-18-25)16-30(40-32)24-13-26(44-10)15-27(14-24)45-21-28(47-48(11,12)35(6,7)8)20-41(9)33(43)46-34(3,4)5;1-20(2)36-28-25(17-33-36)26(32)16-27(34-28)21-13-22(38-10)15-23(14-21)39-19-24(41-42(11,12)31(6,7)8)18-35(9)29(37)40-30(3,4)5;1-6-7-20(33)15-35-22-9-18(8-21(10-22)34-5)24-11-25(31(4)19-12-27-16-28-13-19)23-14-29-32(17(2)3)26(23)30-24;5-4-1-6-3-7-2-4/h14-20,23-24,29H,21-22H2,1-13H3;13-19,22-23,28H,20-21H2,1-12H3,(H,39,40);13-17,20,24H,18-19H2,1-12H3;8-14,16-17,20,33H,6-7,15H2,1-5H3;1-3H,5H2
• InChIKey: JXCKWFIZLXGWPK-UHFFFAOYSA-N
• XLogP: 28.56
• TPSA: 480.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 44
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2560.84
LogP ≤ 5	28.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine?

The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine (CID 159049679) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine.

What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine?

The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine is CCCC(O)COc1cc(OC)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1.COc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(Cl)c3cnn(C(C)C)c3n2)c1.COc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1.COc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(Nc3cncnc3)c3cnn(C(C)C)c3n2)c1.Nc1cncnc1.

What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine?

The InChIKey is JXCKWFIZLXGWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H53N7O5Si.C35H51N7O5Si.C31H47ClN4O5Si.C26H32N6O3.C4H5N3/c1-24(2)43-33-30(20-39-43)32(42(10)26-18-37-23-38-19-26)17-31(40-33)25-14-27(45-11)16-28(15-25)46-22-29(48-49(12,13)36(6,7)8)21-41(9)34(44)47-35(3,4)5;1-23(2)42-32-29(19-38-42)31(39-25-17-36-22-37-18-25)16-30(40-32)24-13-26(44-10)15-27(14-24)45-21-28(47-48(11,12)35(6,7)8)20-41(9)33(43)46-34(3,4)5;1-20(2)36-28-25(17-33-36)26(32)16-27(34-28)21-13-22(38-10)15-23(14-21)39-19-24(41-42(11,12)31(6,7)8)18-35(9)29(37)40-30(3,4)5;1-6-7-20(33)15-35-22-9-18(8-21(10-22)34-5)24-11-25(31(4)19-12-27-16-28-13-19)23-14-29-32(17(2)3)26(23)30-24;5-4-1-6-3-7-2-4/h14-20,23-24,29H,21-22H2,1-13H3;13-19,22-23,28H,20-21H2,1-12H3,(H,39,40);13-17,20,24H,18-19H2,1-12H3;8-14,16-17,20,33H,6-7,15H2,1-5H3;1-3H,5H2.

What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine?

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine has a molecular weight of 2560.84 g/mol, XLogP of 28.56, 44 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxyphenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[1-propan-2-yl-4-(pyrimidin-5-ylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]pentan-2-ol;pyrimidin-5-amine is sourced from PubChem (CID 159049679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).