3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine

C91H100Cl6FN25 — CID 159359432

About 3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine

3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 159359432) has the molecular formula C91H100Cl6FN25 and a molecular weight of 1775.69 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 159359432
• Molecular Formula: C91H100Cl6FN25
• Molecular Weight: 1775.69 g/mol
• Exact Mass: 1771.67
• IUPAC Name: 3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1(C)CCN(c2cnc3c(-c4ccc(Cl)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(Cl)cc4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(F)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccc(Cl)cc4)[nH]nc3n2)CC1
• InChI: InChI=1S/C19H22ClN5.C18H19Cl2N5.C18H19ClFN5.2C18H20ClN5/c1-3-19(2)8-10-25(11-9-19)15-12-21-17-16(23-24-18(17)22-15)13-4-6-14(20)7-5-13;1-18(2)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)11-3-4-12(19)13(20)9-11;1-18(2)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)11-3-4-13(20)12(19)9-11;1-18(2)7-9-24(10-8-18)14-11-20-16-15(22-23-17(16)21-14)12-3-5-13(19)6-4-12;1-18(2)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/h4-7,12H,3,8-11H2,1-2H3,(H,22,23,24);2*3-4,9-10H,5-8H2,1-2H3,(H,22,23,24);2*3-6,11H,7-10H2,1-2H3,(H,21,22,23)
• InChIKey: LIIOWRBVFABADX-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 288.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1775.69
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 159359432) is 3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine.

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

The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(-c4ccc(Cl)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(Cl)cc4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccc(F)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccc(Cl)cc4)[nH]nc3n2)CC1.

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

The InChIKey is LIIOWRBVFABADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5.C18H19Cl2N5.C18H19ClFN5.2C18H20ClN5/c1-3-19(2)8-10-25(11-9-19)15-12-21-17-16(23-24-18(17)22-15)13-4-6-14(20)7-5-13;1-18(2)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)11-3-4-12(19)13(20)9-11;1-18(2)5-7-25(8-6-18)14-10-21-16-15(23-24-17(16)22-14)11-3-4-13(20)12(19)9-11;1-18(2)7-9-24(10-8-18)14-11-20-16-15(22-23-17(16)21-14)12-3-5-13(19)6-4-12;1-18(2)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/h4-7,12H,3,8-11H2,1-2H3,(H,22,23,24);2*3-4,9-10H,5-8H2,1-2H3,(H,22,23,24);2*3-6,11H,7-10H2,1-2H3,(H,21,22,23).

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

3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1775.69 g/mol, XLogP of 22.68, 11 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 159359432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).