2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine

C95H105Cl2F5N26O2 — CID 159102229

About 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 159102229) has the molecular formula C95H105Cl2F5N26O2 and a molecular weight of 1808.96 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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 159102229
• Molecular Formula: C95H105Cl2F5N26O2
• Molecular Weight: 1808.96 g/mol
• Exact Mass: 1806.82
• IUPAC Name: 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1(C)CCN(c2cnc3c(-c4cc(Cl)ccc4F)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(OC(F)F)cc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4C#N)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(F)c4F)[nH]nc3n2)CC1.COc1ccc(-c2[nH]nc3nc(N4CCC(C)(C)CC4)cnc23)cc1
• InChI: InChI=1S/C20H21ClN6.C19H21F2N5O.C19H21F2N5.C19H23N5O.C18H19ClFN5/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;1-19(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;1-19(2)8-10-24(11-9-19)15-12-20-17-16(22-23-18(17)21-15)13-4-6-14(25-3)7-5-13;1-18(2)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)12-9-11(19)3-4-13(12)20/h4-6,12H,3,7-10H2,1-2H3,(H,24,25,26);3-6,11,18H,7-10H2,1-2H3,(H,23,24,25);4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);4-7,12H,8-11H2,1-3H3,(H,21,22,23);3-4,9-10H,5-8H2,1-2H3,(H,22,23,24)
• InChIKey: KDKWOQQTTAGYJS-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 330.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1808.96
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine (CID 159102229) is 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(-c4cc(Cl)ccc4F)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(OC(F)F)cc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4C#N)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(F)c4F)[nH]nc3n2)CC1.COc1ccc(-c2[nH]nc3nc(N4CCC(C)(C)CC4)cnc23)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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is KDKWOQQTTAGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6.C19H21F2N5O.C19H21F2N5.C19H23N5O.C18H19ClFN5/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;1-19(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;1-19(2)8-10-24(11-9-19)15-12-20-17-16(22-23-18(17)21-15)13-4-6-14(25-3)7-5-13;1-18(2)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)12-9-11(19)3-4-13(12)20/h4-6,12H,3,7-10H2,1-2H3,(H,24,25,26);3-6,11,18H,7-10H2,1-2H3,(H,23,24,25);4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);4-7,12H,8-11H2,1-3H3,(H,21,22,23);3-4,9-10H,5-8H2,1-2H3,(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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1808.96 g/mol, XLogP of 21.22, 15 rotatable bonds, 5 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;3-(5-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;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-(4,4-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 159102229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).