3-(3-chloro-4-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-(3,4-dichlorophenyl)-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

C93H106Cl4FN25 — CID 158981896

About 3-(3-chloro-4-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-(3,4-dichlorophenyl)-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-(3-chloro-4-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-(3,4-dichlorophenyl)-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 158981896) has the molecular formula C93H106Cl4FN25 and a molecular weight of 1734.86 g/mol. Its IUPAC name is 3-(3-chloro-4-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-(3,4-dichlorophenyl)-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-(3-chloro-4-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-(3,4-dichlorophenyl)-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: 158981896
• Molecular Formula: C93H106Cl4FN25
• Molecular Weight: 1734.86 g/mol
• Exact Mass: 1731.78
• IUPAC Name: 3-(3-chloro-4-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-(3,4-dichlorophenyl)-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(-c4ccc(Cl)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(F)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[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.C18H19Cl2N5.C18H19ClFN5.C18H20ClN5/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)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)11-3-4-12(19)13(20)9-11;1-18(2)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)11-3-4-13(20)12(19)9-11;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/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);2*3-4,9-10H,5-8H2,1-2H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23)
• InChIKey: JPCJXUCQAIKNRR-UHFFFAOYSA-N
• XLogP: 21.99
• TPSA: 288.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1734.86
LogP ≤ 5	21.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-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-(3,4-dichlorophenyl)-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-(3-chloro-4-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-(3,4-dichlorophenyl)-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 158981896) is 3-(3-chloro-4-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-(3,4-dichlorophenyl)-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-(3-chloro-4-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-(3,4-dichlorophenyl)-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-(3-chloro-4-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-(3,4-dichlorophenyl)-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(-c4ccc(Cl)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(F)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[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-(3-chloro-4-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-(3,4-dichlorophenyl)-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 JPCJXUCQAIKNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5.C19H23N5.C18H19Cl2N5.C18H19ClFN5.C18H20ClN5/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)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)11-3-4-12(19)13(20)9-11;1-18(2)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)11-3-4-13(20)12(19)9-11;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/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);2*3-4,9-10H,5-8H2,1-2H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23).

What are the key properties of 3-(3-chloro-4-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-(3,4-dichlorophenyl)-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-(3-chloro-4-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-(3,4-dichlorophenyl)-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 1734.86 g/mol, XLogP of 21.99, 11 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4-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-(3,4-dichlorophenyl)-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 158981896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).