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

C78H84ClF8N21O — CID 167615758

About 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;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;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 167615758) has the molecular formula C78H84ClF8N21O and a molecular weight of 1519.11 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-[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;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: 167615758
• Molecular Formula: C78H84ClF8N21O
• Molecular Weight: 1519.11 g/mol
• Exact Mass: 1517.67
• IUPAC Name: 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;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: 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/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/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)
• InChIKey: LSFXXNJLELNSAI-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 263.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1519.11
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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-[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;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 167615758) is 2-chloro-6-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;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;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;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 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;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 LSFXXNJLELNSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6.C20H21F4N5.C19H21F2N5O.C19H21F2N5/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/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).

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-[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;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 1519.11 g/mol, XLogP of 18.32, 13 rotatable bonds, 4 hydrogen bond donors, and 18 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-[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 167615758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).