1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine

C59H81Cl2N25O5 — CID 157347427

About 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine

1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157347427) has the molecular formula C59H81Cl2N25O5 and a molecular weight of 1291.37 g/mol. Its IUPAC name is 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157347427
• Molecular Formula: C59H81Cl2N25O5
• Molecular Weight: 1291.37 g/mol
• Exact Mass: 1289.62
• IUPAC Name: 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CCCC(n2ncc3c(N)ncnc32)C1.CC1CCCN(C(=O)OC(C)(C)C)C1.Nc1ncnc2[nH]ncc12.Nc1ncnc2c1cnn2C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.Nc1ncnc2c1cnn2C1CCCNC1
• InChI: InChI=1S/C18H19Cl2N7O.C15H22N6O2.C11H21NO2.C10H14N6.C5H5N5/c19-11-4-12(20)6-13(5-11)22-8-16(28)26-3-1-2-14(9-26)27-18-15(7-25-27)17(21)23-10-24-18;1-15(2,3)23-14(22)20-6-4-5-10(8-20)21-13-11(7-19-21)12(16)17-9-18-13;1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;11-9-8-5-15-16(10(8)14-6-13-9)7-2-1-3-12-4-7;6-4-3-1-9-10-5(3)8-2-7-4/h4-7,10,14,22H,1-3,8-9H2,(H2,21,23,24);7,9-10H,4-6,8H2,1-3H3,(H2,16,17,18);9H,5-8H2,1-4H3;5-7,12H,1-4H2,(H2,11,13,14);1-2H,(H3,6,7,8,9,10)
• InChIKey: BHDDUDHXCAWLBX-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 392.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1291.37
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 157347427) is 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)OC(=O)N1CCCC(n2ncc3c(N)ncnc32)C1.CC1CCCN(C(=O)OC(C)(C)C)C1.Nc1ncnc2[nH]ncc12.Nc1ncnc2c1cnn2C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.Nc1ncnc2c1cnn2C1CCCNC1.

What is the InChIKey of 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is BHDDUDHXCAWLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N7O.C15H22N6O2.C11H21NO2.C10H14N6.C5H5N5/c19-11-4-12(20)6-13(5-11)22-8-16(28)26-3-1-2-14(9-26)27-18-15(7-25-27)17(21)23-10-24-18;1-15(2,3)23-14(22)20-6-4-5-10(8-20)21-13-11(7-19-21)12(16)17-9-18-13;1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;11-9-8-5-15-16(10(8)14-6-13-9)7-2-1-3-12-4-7;6-4-3-1-9-10-5(3)8-2-7-4/h4-7,10,14,22H,1-3,8-9H2,(H2,21,23,24);7,9-10H,4-6,8H2,1-3H3,(H2,16,17,18);9H,5-8H2,1-4H3;5-7,12H,1-4H2,(H2,11,13,14);1-2H,(H3,6,7,8,9,10).

What are the key properties of 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine?

1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1291.37 g/mol, XLogP of 7.89, 6 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone;tert-butyl 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;1H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157347427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).