(3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine

C86H131Cl2N27O3Si2 — CID 158402805

About (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine

(3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 158402805) has the molecular formula C86H131Cl2N27O3Si2 and a molecular weight of 1718.26 g/mol. Its IUPAC name is (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 158402805
• Molecular Formula: C86H131Cl2N27O3Si2
• Molecular Weight: 1718.26 g/mol
• Exact Mass: 1715.98
• IUPAC Name: (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine
• SMILES: C.C.CN(c1ncnc2[nH]ncc12)[C@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CN(c1ncnc2[nH]ncc12)[C@H]1CCCNC1.CN(c1ncnc2c1cnn2COCC[Si](C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1.CN(c1ncnc2c1cnn2COCC[Si](C)(C)C)[C@H]1CCCNC1.CN[C@H]1CCCN(Cc2ccccc2)C1
• InChI: InChI=1S/C24H36N6OSi.C19H21Cl2N7O.C17H30N6OSi.C13H20N2.C11H16N6.2CH4/c1-28(21-11-8-12-29(17-21)16-20-9-6-5-7-10-20)23-22-15-27-30(24(22)26-18-25-23)19-31-13-14-32(2,3)4;1-27(19-16-8-25-26-18(16)23-11-24-19)15-3-2-4-28(10-15)17(29)9-22-14-6-12(20)5-13(21)7-14;1-22(14-6-5-7-18-10-14)16-15-11-21-23(17(15)20-12-19-16)13-24-8-9-25(2,3)4;1-14-13-8-5-9-15(11-13)10-12-6-3-2-4-7-12;1-17(8-3-2-4-12-5-8)11-9-6-15-16-10(9)13-7-14-11;;/h5-7,9-10,15,18,21H,8,11-14,16-17,19H2,1-4H3;5-8,11,15,22H,2-4,9-10H2,1H3,(H,23,24,25,26);11-12,14,18H,5-10,13H2,1-4H3;2-4,6-7,13-14H,5,8-11H2,1H3;6-8,12H,2-5H2,1H3,(H,13,14,15,16);2*1H4/t21-;15-;14-;13-;8-;;/m00000../s1
• InChIKey: GYHSCUXVVBYZNK-GWQOEMADSA-N
• XLogP: 13.45
• TPSA: 302.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1718.26
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	6
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 (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine?

The IUPAC name of (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 158402805) is (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine?

The canonical SMILES for (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine is C.C.CN(c1ncnc2[nH]ncc12)[C@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CN(c1ncnc2[nH]ncc12)[C@H]1CCCNC1.CN(c1ncnc2c1cnn2COCC[Si](C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1.CN(c1ncnc2c1cnn2COCC[Si](C)(C)C)[C@H]1CCCNC1.CN[C@H]1CCCN(Cc2ccccc2)C1.

What is the InChIKey of (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine?

The InChIKey is GYHSCUXVVBYZNK-GWQOEMADSA-N. The full InChI is InChI=1S/C24H36N6OSi.C19H21Cl2N7O.C17H30N6OSi.C13H20N2.C11H16N6.2CH4/c1-28(21-11-8-12-29(17-21)16-20-9-6-5-7-10-20)23-22-15-27-30(24(22)26-18-25-23)19-31-13-14-32(2,3)4;1-27(19-16-8-25-26-18(16)23-11-24-19)15-3-2-4-28(10-15)17(29)9-22-14-6-12(20)5-13(21)7-14;1-22(14-6-5-7-18-10-14)16-15-11-21-23(17(15)20-12-19-16)13-24-8-9-25(2,3)4;1-14-13-8-5-9-15(11-13)10-12-6-3-2-4-7-12;1-17(8-3-2-4-12-5-8)11-9-6-15-16-10(9)13-7-14-11;;/h5-7,9-10,15,18,21H,8,11-14,16-17,19H2,1-4H3;5-8,11,15,22H,2-4,9-10H2,1H3,(H,23,24,25,26);11-12,14,18H,5-10,13H2,1-4H3;2-4,6-7,13-14H,5,8-11H2,1H3;6-8,12H,2-5H2,1H3,(H,13,14,15,16);2*1H4/t21-;15-;14-;13-;8-;;/m00000../s1.

What are the key properties of (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine?

(3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1718.26 g/mol, XLogP of 13.45, 26 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-benzyl-N-methylpiperidin-3-amine;N-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine;2-(3,5-dichloroanilino)-1-[(3S)-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone;methane;N-methyl-N-[(3S)-piperidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-methyl-N-[(3S)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158402805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).