3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine

C92H106Cl3FN26 — CID 157420129

About 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine

3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 157420129) has the molecular formula C92H106Cl3FN26 and a molecular weight of 1701.40 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 157420129
• Molecular Formula: C92H106Cl3FN26
• Molecular Weight: 1701.40 g/mol
• Exact Mass: 1698.81
• IUPAC Name: 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1(C)CCN(c2cnc3c(-c4cccc(F)c4Cl)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4cccnc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(C)c4)[nH]nc3n2)CC1.Cc1cccc(-c2[nH]nc3nc(N4CCC(C)(C)CC4)cnc23)c1
• InChI: InChI=1S/C20H25N5.C19H23N5.C18H19ClFN5.C18H20ClN5.C17H19ClN6/c1-4-20(3)8-10-25(11-9-20)16-13-21-18-17(23-24-19(18)22-16)15-7-5-6-14(2)12-15;1-13-5-4-6-14(11-13)16-17-18(23-22-16)21-15(12-20-17)24-9-7-19(2,3)8-10-24;1-18(2)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)11-4-3-5-12(20)14(11)19;1-18(2)7-9-24(10-8-18)14-11-20-16-15(22-23-17(16)21-14)12-5-3-4-6-13(12)19;1-17(2)5-8-24(9-6-17)12-10-20-14-13(22-23-16(14)21-12)11-4-3-7-19-15(11)18/h5-7,12-13H,4,8-11H2,1-3H3,(H,22,23,24);4-6,11-12H,7-10H2,1-3H3,(H,21,22,23);3-5,10H,6-9H2,1-2H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23);3-4,7,10H,5-6,8-9H2,1-2H3,(H,21,22,23)
• InChIKey: BPHQGIRLBWPGRV-UHFFFAOYSA-N
• XLogP: 20.73
• TPSA: 301.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1701.40
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine (CID 157420129) is 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(-c4cccc(F)c4Cl)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4cccnc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(C)c4)[nH]nc3n2)CC1.Cc1cccc(-c2[nH]nc3nc(N4CCC(C)(C)CC4)cnc23)c1.

What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is BPHQGIRLBWPGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5.C19H23N5.C18H19ClFN5.C18H20ClN5.C17H19ClN6/c1-4-20(3)8-10-25(11-9-20)16-13-21-18-17(23-24-19(18)22-16)15-7-5-6-14(2)12-15;1-13-5-4-6-14(11-13)16-17-18(23-22-16)21-15(12-20-17)24-9-7-19(2,3)8-10-24;1-18(2)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)11-4-3-5-12(20)14(11)19;1-18(2)7-9-24(10-8-18)14-11-20-16-15(22-23-17(16)21-14)12-5-3-4-6-13(12)19;1-17(2)5-8-24(9-6-17)12-10-20-14-13(22-23-16(14)21-12)11-4-3-7-19-15(11)18/h5-7,12-13H,4,8-11H2,1-3H3,(H,22,23,24);4-6,11-12H,7-10H2,1-3H3,(H,21,22,23);3-5,10H,6-9H2,1-2H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23);3-4,7,10H,5-6,8-9H2,1-2H3,(H,21,22,23).

What are the key properties of 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1701.40 g/mol, XLogP of 20.73, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-3-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 157420129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).