1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine

C₉₁H₁₀₆Cl₆N₃₀ — CID 159534361

About 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine

1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 159534361) has the molecular formula C₉₁H₁₀₆Cl₆N₃₀ and a molecular weight of 1832.78 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 159534361
• Molecular Formula: C₉₁H₁₀₆Cl₆N₃₀
• Molecular Weight: 1832.78 g/mol
• Exact Mass: 1828.73
• IUPAC Name: 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC(N)C1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CCC(N)C1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccnc(Cl)c4Cl)[nH]nc3n2)CC1.CCC1(N)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CNC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1
• InChI: InChI=1S/C19H23ClN6.C18H20Cl2N6.3C18H21ClN6/c1-2-15(21)12-7-9-26(10-8-12)16-11-22-18-17(24-25-19(18)23-16)13-5-3-4-6-14(13)20;1-3-18(2)5-8-26(9-6-18)12-10-22-15-14(24-25-17(15)23-12)11-4-7-21-16(20)13(11)19;1-18(20-2)7-9-25(10-8-18)14-11-21-16-15(23-24-17(16)22-14)12-5-3-4-6-13(12)19;1-11(20)12-6-8-25(9-7-12)15-10-21-17-16(23-24-18(17)22-15)13-4-2-3-5-14(13)19;1-2-18(20)7-9-25(10-8-18)14-11-21-16-15(23-24-17(16)22-14)12-5-3-4-6-13(12)19/h3-6,11-12,15H,2,7-10,21H2,1H3,(H,23,24,25);4,7,10H,3,5-6,8-9H2,1-2H3,(H,23,24,25);3-6,11,20H,7-10H2,1-2H3,(H,22,23,24);2-5,10-12H,6-9,20H2,1H3,(H,22,23,24);3-6,11H,2,7-10,20H2,1H3,(H,22,23,24)
• InChIKey: MDKAUUPCRRYQLG-UHFFFAOYSA-N
• XLogP: 18.23
• TPSA: 391.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1832.78
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 159534361) is 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine is CC(N)C1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CCC(N)C1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccnc(Cl)c4Cl)[nH]nc3n2)CC1.CCC1(N)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CNC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.

What is the InChIKey of 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is MDKAUUPCRRYQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6.C18H20Cl2N6.3C18H21ClN6/c1-2-15(21)12-7-9-26(10-8-12)16-11-22-18-17(24-25-19(18)23-16)13-5-3-4-6-14(13)20;1-3-18(2)5-8-26(9-6-18)12-10-22-15-14(24-25-17(15)23-12)11-4-7-21-16(20)13(11)19;1-18(20-2)7-9-25(10-8-18)14-11-21-16-15(23-24-17(16)22-14)12-5-3-4-6-13(12)19;1-11(20)12-6-8-25(9-7-12)15-10-21-17-16(23-24-18(17)22-15)13-4-2-3-5-14(13)19;1-2-18(20)7-9-25(10-8-18)14-11-21-16-15(23-24-17(16)22-14)12-5-3-4-6-13(12)19/h3-6,11-12,15H,2,7-10,21H2,1H3,(H,23,24,25);4,7,10H,3,5-6,8-9H2,1-2H3,(H,23,24,25);3-6,11,20H,7-10H2,1-2H3,(H,22,23,24);2-5,10-12H,6-9,20H2,1H3,(H,22,23,24);3-6,11H,2,7-10,20H2,1H3,(H,22,23,24).

What are the key properties of 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine?

1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1832.78 g/mol, XLogP of 18.23, 16 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-N,4-dimethylpiperidin-4-amine;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]ethanamine;1-[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]propan-1-amine;3-(2,3-dichloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 159534361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159534361 — identifiers, structure, computed properties (public domain)

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