2-chloro-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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

C98H104Cl2F9N27O — CID 158460713

About 2-chloro-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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 158460713) has the molecular formula C98H104Cl2F9N27O and a molecular weight of 1917.99 g/mol. Its IUPAC name is 2-chloro-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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: 158460713
• Molecular Formula: C98H104Cl2F9N27O
• Molecular Weight: 1917.99 g/mol
• Exact Mass: 1915.82
• IUPAC Name: 2-chloro-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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.CCC1(C)CCN(c2cnc3c(-c4cccc(C#N)c4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(C(F)(F)F)c4F)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(C)c4F)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(OC(F)(F)F)c4F)[nH]nc3n2)CC1
• InChI: InChI=1S/C20H21ClN6.C20H21F4N5O.C20H21F4N5.C20H24FN5.C18H17ClN6/c1-3-20(2)7-9-27(10-8-20)15-12-23-18-17(25-26-19(18)24-15)14-6-4-5-13(11-22)16(14)21;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)30-20(22,23)24;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;1-4-20(3)8-10-26(11-9-20)15-12-22-18-17(24-25-19(18)23-15)14-7-5-6-13(2)16(14)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);4-6,11H,3,7-10H2,1-2H3,(H,26,27,28);5-7,12H,4,8-11H2,1-3H3,(H,23,24,25);1,3-6,11H,7-10,20H2,(H,22,23,24)
• InChIKey: HFDDMDYFSZCSMB-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 347.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1917.99
LogP ≤ 5	21.92
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-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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 158460713) is 2-chloro-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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.CCC1(C)CCN(c2cnc3c(-c4cccc(C#N)c4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(C(F)(F)F)c4F)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(C)c4F)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(OC(F)(F)F)c4F)[nH]nc3n2)CC1.

What is the InChIKey of 2-chloro-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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 HFDDMDYFSZCSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6.C20H21F4N5O.C20H21F4N5.C20H24FN5.C18H17ClN6/c1-3-20(2)7-9-27(10-8-20)15-12-23-18-17(25-26-19(18)24-15)14-6-4-5-13(11-22)16(14)21;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)30-20(22,23)24;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;1-4-20(3)8-10-26(11-9-20)15-12-22-18-17(24-25-19(18)23-15)14-7-5-6-13(2)16(14)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);4-6,11H,3,7-10H2,1-2H3,(H,26,27,28);5-7,12H,4,8-11H2,1-3H3,(H,23,24,25);1,3-6,11H,7-10,20H2,(H,22,23,24).

What are the key properties of 2-chloro-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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 1917.99 g/mol, XLogP of 21.92, 15 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-[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;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-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 158460713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).