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

C93H102Cl4F2N26O — CID 159399496

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

3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 159399496) has the molecular formula C93H102Cl4F2N26O and a molecular weight of 1779.83 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 159399496
• Molecular Formula: C93H102Cl4F2N26O
• Molecular Weight: 1779.83 g/mol
• Exact Mass: 1776.75
• IUPAC Name: 3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1(C)CCN(c2cnc3c(-c4ccc(Cl)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4F)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccccc4F)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc5c4ccn5C)[nH]nc3n2)CC1.C[C@@H]1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)C[C@H]1O
• InChI: InChI=1S/C22H26N6.C18H19Cl2N5.C18H19ClFN5.C18H20FN5.C17H18ClN5O/c1-4-22(2)9-12-28(13-10-22)18-14-23-20-19(25-26-21(20)24-18)16-6-5-7-17-15(16)8-11-27(17)3;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)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)11-4-3-5-12(19)14(11)20;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;1-10-6-7-23(9-13(10)24)14-8-19-16-15(21-22-17(16)20-14)11-4-2-3-5-12(11)18/h5-8,11,14H,4,9-10,12-13H2,1-3H3,(H,24,25,26);3-4,9-10H,5-8H2,1-2H3,(H,22,23,24);3-5,10H,6-9H2,1-2H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23);2-5,8,10,13,24H,6-7,9H2,1H3,(H,20,21,22)/t;;;;10-,13-/m....1/s1
• InChIKey: LNDSAFYEVHHFFM-MIFKDVILSA-N
• XLogP: 20.59
• TPSA: 313.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1779.83
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 159399496) is 3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.

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

The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(-c4ccc(Cl)c(Cl)c4)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4F)[nH]nc3n2)CC1.CC1(C)CCN(c2cnc3c(-c4ccccc4F)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc5c4ccn5C)[nH]nc3n2)CC1.C[C@@H]1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)C[C@H]1O.

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

The InChIKey is LNDSAFYEVHHFFM-MIFKDVILSA-N. The full InChI is InChI=1S/C22H26N6.C18H19Cl2N5.C18H19ClFN5.C18H20FN5.C17H18ClN5O/c1-4-22(2)9-12-28(13-10-22)18-14-23-20-19(25-26-21(20)24-18)16-6-5-7-17-15(16)8-11-27(17)3;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)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)11-4-3-5-12(19)14(11)20;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;1-10-6-7-23(9-13(10)24)14-8-19-16-15(21-22-17(16)20-14)11-4-2-3-5-12(11)18/h5-8,11,14H,4,9-10,12-13H2,1-3H3,(H,24,25,26);3-4,9-10H,5-8H2,1-2H3,(H,22,23,24);3-5,10H,6-9H2,1-2H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23);2-5,8,10,13,24H,6-7,9H2,1H3,(H,20,21,22)/t;;;;10-,13-/m....1/s1.

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

3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1779.83 g/mol, XLogP of 20.59, 11 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-2-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-3-ol;3-(3,4-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 159399496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).