3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine

C108H125Cl5N34S4 — CID 157214610

About 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine

3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine (PubChem CID 157214610) has the molecular formula C108H125Cl5N34S4 and a molecular weight of 2204.96 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 157214610
• Molecular Formula: C108H125Cl5N34S4
• Molecular Weight: 2204.96 g/mol
• Exact Mass: 2200.82
• IUPAC Name: 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1(C)CCN(c2cnc3c(Nc4cccnc4Cl)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(Sc4cccc(Cl)c4Cl)n[nH]c3n2)CC1.CC1(C)CCN(c2cnc3c(Sc4ccccc4Cl)n[nH]c3n2)CC1.CC1(C)CCN(c2cnc3c(Sc4ccncc4Cl)n[nH]c3n2)CC1.CCC1(C)CCN(c2cnc3c(Sc4ccccc4)n[nH]c3n2)CC1.CN(c1cccnc1)c1c[nH]c2nc(N3CCC(C)(C)CC3)cnc12
• InChI: InChI=1S/C19H24N6.C19H23N5S.C18H19Cl2N5S.C18H20ClN5S.C17H20ClN7.C17H19ClN6S/c1-19(2)6-9-25(10-7-19)16-13-21-17-15(12-22-18(17)23-16)24(3)14-5-4-8-20-11-14;1-3-19(2)9-11-24(12-10-19)15-13-20-16-17(21-15)22-23-18(16)25-14-7-5-4-6-8-14;1-18(2)6-8-25(9-7-18)13-10-21-15-16(22-13)23-24-17(15)26-12-5-3-4-11(19)14(12)20;1-18(2)7-9-24(10-8-18)14-11-20-15-16(21-14)22-23-17(15)25-13-6-4-3-5-12(13)19;1-17(2)5-8-25(9-6-17)12-10-20-13-15(23-24-16(13)22-12)21-11-4-3-7-19-14(11)18;1-17(2)4-7-24(8-5-17)13-10-20-14-15(21-13)22-23-16(14)25-12-3-6-19-9-11(12)18/h4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,22,23);4-8,13H,3,9-12H2,1-2H3,(H,21,22,23);3-5,10H,6-9H2,1-2H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23);3-4,7,10H,5-6,8-9H2,1-2H3,(H2,21,22,23,24);3,6,9-10H,4-5,7-8H2,1-2H3,(H,21,22,23)
• InChIKey: ASGSBZDBJDREEE-UHFFFAOYSA-N
• XLogP: 26.44
• TPSA: 387.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.96
LogP ≤ 5	26.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine (CID 157214610) is 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(Nc4cccnc4Cl)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(Sc4cccc(Cl)c4Cl)n[nH]c3n2)CC1.CC1(C)CCN(c2cnc3c(Sc4ccccc4Cl)n[nH]c3n2)CC1.CC1(C)CCN(c2cnc3c(Sc4ccncc4Cl)n[nH]c3n2)CC1.CCC1(C)CCN(c2cnc3c(Sc4ccccc4)n[nH]c3n2)CC1.CN(c1cccnc1)c1c[nH]c2nc(N3CCC(C)(C)CC3)cnc12.

What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine?

The InChIKey is ASGSBZDBJDREEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6.C19H23N5S.C18H19Cl2N5S.C18H20ClN5S.C17H20ClN7.C17H19ClN6S/c1-19(2)6-9-25(10-7-19)16-13-21-17-15(12-22-18(17)23-16)24(3)14-5-4-8-20-11-14;1-3-19(2)9-11-24(12-10-19)15-13-20-16-17(21-15)22-23-18(16)25-14-7-5-4-6-8-14;1-18(2)6-8-25(9-7-18)13-10-21-15-16(22-13)23-24-17(15)26-12-5-3-4-11(19)14(12)20;1-18(2)7-9-24(10-8-18)14-11-20-15-16(21-14)22-23-17(15)25-13-6-4-3-5-12(13)19;1-17(2)5-8-25(9-6-17)12-10-20-13-15(23-24-16(13)22-12)21-11-4-3-7-19-14(11)18;1-17(2)4-7-24(8-5-17)13-10-20-14-15(21-13)22-23-16(14)25-12-3-6-19-9-11(12)18/h4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,22,23);4-8,13H,3,9-12H2,1-2H3,(H,21,22,23);3-5,10H,6-9H2,1-2H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23);3-4,7,10H,5-6,8-9H2,1-2H3,(H2,21,22,23,24);3,6,9-10H,4-5,7-8H2,1-2H3,(H,21,22,23).

What are the key properties of 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine?

3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine has a molecular weight of 2204.96 g/mol, XLogP of 26.44, 19 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;N-(2-chloro-3-pyridinyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine;3-(4,4-dimethylpiperidin-1-yl)-N-methyl-N-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazin-7-amine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-phenylsulfanyl-1H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 157214610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).