3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine

C96H107Cl3F2N26O2S — CID 159145030

About 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine

3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 159145030) has the molecular formula C96H107Cl3F2N26O2S and a molecular weight of 1833.51 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 159145030
• Molecular Formula: C96H107Cl3F2N26O2S
• Molecular Weight: 1833.51 g/mol
• Exact Mass: 1830.78
• IUPAC Name: 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1(C)CCN(c2cnc3c(-c4ccc(C#N)cc4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CC1CC2CCC(C1)N2c1cnc2c(-c3ccccc3Cl)[nH]nc2n1.CCC1(C)CCN(c2cnc3c(-c4ccc(C(F)F)cc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccc(S(C)(=O)=O)cc4)[nH]nc3n2)CC1
• InChI: InChI=1S/C20H23F2N5.C20H25N5O2S.C19H20ClN5.C19H20N6.C18H19Cl2N5/c1-3-20(2)8-10-27(11-9-20)15-12-23-17-16(25-26-19(17)24-15)13-4-6-14(7-5-13)18(21)22;1-4-20(2)9-11-25(12-10-20)16-13-21-18-17(23-24-19(18)22-16)14-5-7-15(8-6-14)28(3,26)27;1-11-8-12-6-7-13(9-11)25(12)16-10-21-18-17(23-24-19(18)22-16)14-4-2-3-5-15(14)20;1-19(2)7-9-25(10-8-19)15-12-21-17-16(23-24-18(17)22-15)14-5-3-13(11-20)4-6-14;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(19)14(11)20/h4-7,12,18H,3,8-11H2,1-2H3,(H,24,25,26);5-8,13H,4,9-12H2,1-3H3,(H,22,23,24);2-5,10-13H,6-9H2,1H3,(H,22,23,24);3-6,12H,7-10H2,1-2H3,(H,22,23,24);3-5,10H,6-9H2,1-2H3,(H,22,23,24)
• InChIKey: KIONATJVSSJAEO-UHFFFAOYSA-N
• XLogP: 21.33
• TPSA: 346.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1833.51
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine (CID 159145030) is 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(-c4ccc(C#N)cc4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CC1CC2CCC(C1)N2c1cnc2c(-c3ccccc3Cl)[nH]nc2n1.CCC1(C)CCN(c2cnc3c(-c4ccc(C(F)F)cc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccc(S(C)(=O)=O)cc4)[nH]nc3n2)CC1.

What is the InChIKey of 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is KIONATJVSSJAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5.C20H25N5O2S.C19H20ClN5.C19H20N6.C18H19Cl2N5/c1-3-20(2)8-10-27(11-9-20)15-12-23-17-16(25-26-19(17)24-15)13-4-6-14(7-5-13)18(21)22;1-4-20(2)9-11-25(12-10-20)16-13-21-18-17(23-24-19(18)22-16)14-5-7-15(8-6-14)28(3,26)27;1-11-8-12-6-7-13(9-11)25(12)16-10-21-18-17(23-24-19(18)22-16)14-4-2-3-5-15(14)20;1-19(2)7-9-25(10-8-19)15-12-21-17-16(23-24-18(17)22-15)14-5-3-13(11-20)4-6-14;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(19)14(11)20/h4-7,12,18H,3,8-11H2,1-2H3,(H,24,25,26);5-8,13H,4,9-12H2,1-3H3,(H,22,23,24);2-5,10-13H,6-9H2,1H3,(H,22,23,24);3-6,12H,7-10H2,1-2H3,(H,22,23,24);3-5,10H,6-9H2,1-2H3,(H,22,23,24).

What are the key properties of 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1833.51 g/mol, XLogP of 21.33, 14 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-[4-(difluoromethyl)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;4-[6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 159145030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).