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

C95H112Cl4FN27O2 — CID 159952739

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

3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 159952739) has the molecular formula C95H112Cl4FN27O2 and a molecular weight of 1824.94 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 159952739
• Molecular Formula: C95H112Cl4FN27O2
• Molecular Weight: 1824.94 g/mol
• Exact Mass: 1821.82
• IUPAC Name: 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1(C)CCN(c2cnc3c(-c4c(F)cccc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cc(C)cc(OC)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccc(Cl)c(OC)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccnc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccncc4Cl)[nH]nc3n2)CC1
• InChI: InChI=1S/C21H27N5O.C20H24ClN5O.C18H19ClFN5.2C18H21ClN6/c1-5-21(3)6-8-26(9-7-21)17-13-22-19-18(24-25-20(19)23-17)15-10-14(2)11-16(12-15)27-4;1-4-20(2)7-9-26(10-8-20)16-12-22-18-17(24-25-19(18)23-16)13-5-6-14(21)15(11-13)27-3;1-18(2)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)14-11(19)4-3-5-12(14)20;1-3-18(2)5-8-25(9-6-18)14-11-21-16-15(23-24-17(16)22-14)12-4-7-20-10-13(12)19;1-3-18(2)6-9-25(10-7-18)13-11-21-15-14(23-24-17(15)22-13)12-5-4-8-20-16(12)19/h10-13H,5-9H2,1-4H3,(H,23,24,25);5-6,11-12H,4,7-10H2,1-3H3,(H,23,24,25);3-5,10H,6-9H2,1-2H3,(H,22,23,24);4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,22,23,24);4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,22,23,24)
• InChIKey: OCHXHCLEMRVOPY-UHFFFAOYSA-N
• XLogP: 21.66
• TPSA: 332.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1824.94
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine (CID 159952739) is 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(-c4c(F)cccc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cc(C)cc(OC)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccc(Cl)c(OC)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccnc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccncc4Cl)[nH]nc3n2)CC1.

What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is OCHXHCLEMRVOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O.C20H24ClN5O.C18H19ClFN5.2C18H21ClN6/c1-5-21(3)6-8-26(9-7-21)17-13-22-19-18(24-25-20(19)23-17)15-10-14(2)11-16(12-15)27-4;1-4-20(2)7-9-26(10-8-20)16-12-22-18-17(24-25-19(18)23-16)13-5-6-14(21)15(11-13)27-3;1-18(2)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)14-11(19)4-3-5-12(14)20;1-3-18(2)5-8-25(9-6-18)14-11-21-16-15(23-24-17(16)22-14)12-4-7-20-10-13(12)19;1-3-18(2)6-9-25(10-7-18)13-11-21-15-14(23-24-17(15)22-13)12-5-4-8-20-16(12)19/h10-13H,5-9H2,1-4H3,(H,23,24,25);5-6,11-12H,4,7-10H2,1-3H3,(H,23,24,25);3-5,10H,6-9H2,1-2H3,(H,22,23,24);4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,22,23,24);4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,22,23,24).

What are the key properties of 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?

3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1824.94 g/mol, XLogP of 21.66, 16 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 159952739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).