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

C55H81Cl2N21O6Si — CID 158073167

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

tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3R)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone;N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 158073167) has the molecular formula C55H81Cl2N21O6Si and a molecular weight of 1231.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3R)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone;N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3R)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone;N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 158073167
• Molecular Formula: C55H81Cl2N21O6Si
• Molecular Weight: 1231.39 g/mol
• Exact Mass: 1229.58
• IUPAC Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3R)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone;N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc3c2cnn3COCC[Si](C)(C)C)C1.O=C(CNc1cc(Cl)cc(Cl)c1)N1CC[C@@H](Nc2ncnc3[nH]ncc23)C1.c1nc(N[C@@H]2CCNC2)c2cn[nH]c2n1
• InChI: InChI=1S/C20H34N6O3Si.C17H17Cl2N7O.C9H12N6.C9H18N2O2/c1-20(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;18-10-3-11(19)5-13(4-10)20-7-15(27)26-2-1-12(8-26)24-16-14-6-23-25-17(14)22-9-21-16;1-2-10-3-6(1)14-8-7-4-13-15-9(7)12-5-11-8;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h11,13,15H,7-10,12,14H2,1-6H3,(H,21,22,24);3-6,9,12,20H,1-2,7-8H2,(H2,21,22,23,24,25);4-6,10H,1-3H2,(H2,11,12,13,14,15);7H,4-6,10H2,1-3H3/t15-;12-;6-;7-/m1111/s1
• InChIKey: FMBASKPPYNCGAO-BVVAVDQTSA-N
• XLogP: 7.43
• TPSA: 327.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1231.39
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

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

The IUPAC name of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3R)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone;N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 158073167) is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3R)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone;N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

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

The canonical SMILES for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3R)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone;N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc3c2cnn3COCC[Si](C)(C)C)C1.O=C(CNc1cc(Cl)cc(Cl)c1)N1CC[C@@H](Nc2ncnc3[nH]ncc23)C1.c1nc(N[C@@H]2CCNC2)c2cn[nH]c2n1.

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

The InChIKey is FMBASKPPYNCGAO-BVVAVDQTSA-N. The full InChI is InChI=1S/C20H34N6O3Si.C17H17Cl2N7O.C9H12N6.C9H18N2O2/c1-20(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;18-10-3-11(19)5-13(4-10)20-7-15(27)26-2-1-12(8-26)24-16-14-6-23-25-17(14)22-9-21-16;1-2-10-3-6(1)14-8-7-4-13-15-9(7)12-5-11-8;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h11,13,15H,7-10,12,14H2,1-6H3,(H,21,22,24);3-6,9,12,20H,1-2,7-8H2,(H2,21,22,23,24,25);4-6,10H,1-3H2,(H2,11,12,13,14,15);7H,4-6,10H2,1-3H3/t15-;12-;6-;7-/m1111/s1.

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

tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3R)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone;N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1231.39 g/mol, XLogP of 7.43, 14 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(3,5-dichloroanilino)-1-[(3R)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone;N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158073167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).