2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine

C96H101Cl2F8N27O — CID 160673226

About 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine

2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 160673226) has the molecular formula C96H101Cl2F8N27O and a molecular weight of 1871.94 g/mol. Its IUPAC name is 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 160673226
• Molecular Formula: C96H101Cl2F8N27O
• Molecular Weight: 1871.94 g/mol
• Exact Mass: 1869.79
• IUPAC Name: 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine
• SMILES: C#CC1(N)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(OC(F)F)cc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(C(F)(F)F)c4F)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4C#N)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(F)c4F)[nH]nc3n2)CC1
• InChI: InChI=1S/C20H21ClN6.C20H21F4N5.C19H21F2N5O.C19H21F2N5.C18H17ClN6/c1-3-20(2)7-9-27(10-8-20)16-12-23-18-17(25-26-19(18)24-16)13-5-4-6-15(21)14(13)11-22;1-3-19(2)7-9-29(10-8-19)14-11-25-17-16(27-28-18(17)26-14)12-5-4-6-13(15(12)21)20(22,23)24;1-19(2)7-9-26(10-8-19)14-11-22-16-15(24-25-17(16)23-14)12-3-5-13(6-4-12)27-18(20)21;1-3-19(2)7-9-26(10-8-19)14-11-22-17-16(24-25-18(17)23-14)12-5-4-6-13(20)15(12)21;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/h4-6,12H,3,7-10H2,1-2H3,(H,24,25,26);4-6,11H,3,7-10H2,1-2H3,(H,26,27,28);3-6,11,18H,7-10H2,1-2H3,(H,23,24,25);4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);1,3-6,11H,7-10,20H2,(H,22,23,24)
• InChIKey: RNEXMXZGLVVCAD-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 347.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.94
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine (CID 160673226) is 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine is C#CC1(N)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(OC(F)F)cc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(C(F)(F)F)c4F)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4C#N)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(F)c4F)[nH]nc3n2)CC1.

What is the InChIKey of 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is RNEXMXZGLVVCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6.C20H21F4N5.C19H21F2N5O.C19H21F2N5.C18H17ClN6/c1-3-20(2)7-9-27(10-8-20)16-12-23-18-17(25-26-19(18)24-16)13-5-4-6-15(21)14(13)11-22;1-3-19(2)7-9-29(10-8-19)14-11-25-17-16(27-28-18(17)26-14)12-5-4-6-13(15(12)21)20(22,23)24;1-19(2)7-9-26(10-8-19)14-11-22-16-15(24-25-17(16)23-14)12-3-5-13(6-4-12)27-18(20)21;1-3-19(2)7-9-26(10-8-19)14-11-22-17-16(24-25-18(17)23-14)12-5-4-6-13(20)15(12)21;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/h4-6,12H,3,7-10H2,1-2H3,(H,24,25,26);4-6,11H,3,7-10H2,1-2H3,(H,26,27,28);3-6,11,18H,7-10H2,1-2H3,(H,23,24,25);4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);1,3-6,11H,7-10,20H2,(H,22,23,24).

What are the key properties of 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine?

2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1871.94 g/mol, XLogP of 20.92, 15 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethynylpiperidin-4-amine;3-[4-(difluoromethoxy)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-difluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 160673226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).