6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine

C110H123BrCl5N33O — CID 158253276

About 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine

6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 158253276) has the molecular formula C110H123BrCl5N33O and a molecular weight of 2180.59 g/mol. Its IUPAC name is 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 158253276
• Molecular Formula: C110H123BrCl5N33O
• Molecular Weight: 2180.59 g/mol
• Exact Mass: 2175.82
• IUPAC Name: 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Br)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccncc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ncccc4Cl)[nH]nc3n2)CC1.CCC1(O)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.Clc1ccccc1-c1[nH]nc2nc(N3C4CCCC3CC4)cnc12.Clc1ccccc1-c1[nH]nc2nc(N3CCC4(CCCN4)CC3)cnc12
• InChI: InChI=1S/C19H21BrClN5.C19H21ClN6.C18H21ClN6.C18H20ClN5O.C18H18ClN5.C18H22N6/c1-3-19(2)7-9-26(10-8-19)14-11-22-17-16(24-25-18(17)23-14)12-5-4-6-13(21)15(12)20;20-14-5-2-1-4-13(14)16-17-18(25-24-16)23-15(12-21-17)26-10-7-19(8-11-26)6-3-9-22-19;1-3-18(2)6-9-25(10-7-18)13-11-21-16-15(23-24-17(16)22-13)14-12(19)5-4-8-20-14;1-2-18(25)7-9-24(10-8-18)14-11-20-16-15(22-23-17(16)21-14)12-5-3-4-6-13(12)19;19-14-7-2-1-6-13(14)16-17-18(23-22-16)21-15(10-20-17)24-11-4-3-5-12(24)9-8-11;1-3-18(2)6-10-24(11-7-18)14-12-20-16-15(22-23-17(16)21-14)13-4-8-19-9-5-13/h4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);1-2,4-5,12,22H,3,6-11H2,(H,23,24,25);4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,22,23,24);3-6,11,25H,2,7-10H2,1H3,(H,21,22,23);1-2,6-7,10-12H,3-5,8-9H2,(H,21,22,23);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,22,23)
• InChIKey: GGYXRUIMZWBGKN-UHFFFAOYSA-N
• XLogP: 23.97
• TPSA: 404.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2180.59
LogP ≤ 5	23.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine (CID 158253276) is 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine is CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Br)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccncc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ncccc4Cl)[nH]nc3n2)CC1.CCC1(O)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.Clc1ccccc1-c1[nH]nc2nc(N3C4CCCC3CC4)cnc12.Clc1ccccc1-c1[nH]nc2nc(N3CCC4(CCCN4)CC3)cnc12.

What is the InChIKey of 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is GGYXRUIMZWBGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN5.C19H21ClN6.C18H21ClN6.C18H20ClN5O.C18H18ClN5.C18H22N6/c1-3-19(2)7-9-26(10-8-19)14-11-22-17-16(24-25-18(17)23-14)12-5-4-6-13(21)15(12)20;20-14-5-2-1-4-13(14)16-17-18(25-24-16)23-15(12-21-17)26-10-7-19(8-11-26)6-3-9-22-19;1-3-18(2)6-9-25(10-7-18)13-11-21-16-15(23-24-17(16)22-13)14-12(19)5-4-8-20-14;1-2-18(25)7-9-24(10-8-18)14-11-20-16-15(22-23-17(16)21-14)12-5-3-4-6-13(12)19;19-14-7-2-1-6-13(14)16-17-18(23-22-16)21-15(10-20-17)24-11-4-3-5-12(24)9-8-11;1-3-18(2)6-10-24(11-7-18)14-12-20-16-15(22-23-17(16)21-14)13-4-8-19-9-5-13/h4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);1-2,4-5,12,22H,3,6-11H2,(H,23,24,25);4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,22,23,24);3-6,11,25H,2,7-10H2,1H3,(H,21,22,23);1-2,6-7,10-12H,3-5,8-9H2,(H,21,22,23);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,22,23).

What are the key properties of 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine?

6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 2180.59 g/mol, XLogP of 23.97, 16 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(8-azabicyclo[3.2.1]octan-8-yl)-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-bromo-3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-1,8-diazaspiro[4.5]decane;1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol;3-(3-chloro-2-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 158253276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).