tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C69H103Cl2N25O7Si2 — CID 158566458

About tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 158566458) has the molecular formula C69H103Cl2N25O7Si2 and a molecular weight of 1521.83 g/mol. Its IUPAC name is tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 158566458
• Molecular Formula: C69H103Cl2N25O7Si2
• Molecular Weight: 1521.83 g/mol
• Exact Mass: 1519.74
• IUPAC Name: tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CC[C@H](Nc2ncnc3c2cnn3COCC[Si](C)(C)C)C1.CN(c1ncnc2[nH]ncc12)[C@H]1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CN(c1ncnc2[nH]ncc12)[C@H]1CCNC1.CN(c1ncnc2c1cnn2COCC[Si](C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C21H36N6O3Si.C20H34N6O3Si.C18H19Cl2N7O.C10H14N6/c1-21(2,3)30-20(28)26-9-8-16(13-26)25(4)18-17-12-24-27(19(17)23-14-22-18)15-29-10-11-31(5,6)7;1-20(2,3)29-19(27)25-8-7-15(12-25)24-17-16-11-23-26(18(16)22-13-21-17)14-28-9-10-30(4,5)6;1-26(18-15-7-24-25-17(15)22-10-23-18)14-2-3-27(9-14)16(28)8-21-13-5-11(19)4-12(20)6-13;1-16(7-2-3-11-4-7)10-8-5-14-15-9(8)12-6-13-10/h12,14,16H,8-11,13,15H2,1-7H3;11,13,15H,7-10,12,14H2,1-6H3,(H,21,22,24);4-7,10,14,21H,2-3,8-9H2,1H3,(H,22,23,24,25);5-7,11H,2-4H2,1H3,(H,12,13,14,15)/t16-;15-;14-;7-/m0000/s1
• InChIKey: HRNQBLXJWFTFRF-LELMCLEUSA-N
• XLogP: 10.10
• TPSA: 339.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1521.83
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The IUPAC name of tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 158566458) is tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The canonical SMILES for tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(C)(C)OC(=O)N1CC[C@H](Nc2ncnc3c2cnn3COCC[Si](C)(C)C)C1.CN(c1ncnc2[nH]ncc12)[C@H]1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CN(c1ncnc2[nH]ncc12)[C@H]1CCNC1.CN(c1ncnc2c1cnn2COCC[Si](C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1.

What is the InChIKey of tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The InChIKey is HRNQBLXJWFTFRF-LELMCLEUSA-N. The full InChI is InChI=1S/C21H36N6O3Si.C20H34N6O3Si.C18H19Cl2N7O.C10H14N6/c1-21(2,3)30-20(28)26-9-8-16(13-26)25(4)18-17-12-24-27(19(17)23-14-22-18)15-29-10-11-31(5,6)7;1-20(2,3)29-19(27)25-8-7-15(12-25)24-17-16-11-23-26(18(16)22-13-21-17)14-28-9-10-30(4,5)6;1-26(18-15-7-24-25-17(15)22-10-23-18)14-2-3-27(9-14)16(28)8-21-13-5-11(19)4-12(20)6-13;1-16(7-2-3-11-4-7)10-8-5-14-15-9(8)12-6-13-10/h12,14,16H,8-11,13,15H2,1-7H3;11,13,15H,7-10,12,14H2,1-6H3,(H,21,22,24);4-7,10,14,21H,2-3,8-9H2,1H3,(H,22,23,24,25);5-7,11H,2-4H2,1H3,(H,12,13,14,15)/t16-;15-;14-;7-/m0000/s1.

What are the key properties of tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1521.83 g/mol, XLogP of 10.10, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[methyl-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone;N-methyl-N-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158566458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).