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

C74H82Cl6N20O — CID 160957271

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

3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol (PubChem CID 160957271) has the molecular formula C74H82Cl6N20O and a molecular weight of 1480.33 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol
• PubChem CID: 160957271
• Molecular Formula: C74H82Cl6N20O
• Molecular Weight: 1480.33 g/mol
• Exact Mass: 1476.51
• IUPAC Name: 3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol
• SMILES: CC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CCC1(O)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1
• InChI: InChI=1S/C19H21Cl2N5.C19H22ClN5.C18H19Cl2N5O.C18H20ClN5/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(20)15(12)21;1-3-19(2)7-9-25(10-8-19)15-12-21-17-16(23-24-18(17)22-15)13-5-4-6-14(20)11-13;1-2-18(26)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)6-8-24(9-7-18)14-11-20-16-15(22-23-17(16)21-14)12-4-3-5-13(19)10-12/h4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);4-6,11-12H,3,7-10H2,1-2H3,(H,22,23,24);3-5,10,26H,2,6-9H2,1H3,(H,22,23,24);3-5,10-11H,6-9H2,1-2H3,(H,21,22,23)
• InChIKey: SWOADJQUIKPZBW-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 251.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.33
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol (CID 160957271) is 3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol.

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

The canonical SMILES for 3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol is CC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CCC1(O)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.

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

The InChIKey is SWOADJQUIKPZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5.C19H22ClN5.C18H19Cl2N5O.C18H20ClN5/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(20)15(12)21;1-3-19(2)7-9-25(10-8-19)15-12-21-17-16(23-24-18(17)22-15)13-5-4-6-14(20)11-13;1-2-18(26)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)6-8-24(9-7-18)14-11-20-16-15(22-23-17(16)21-14)12-4-3-5-13(19)10-12/h4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);4-6,11-12H,3,7-10H2,1-2H3,(H,22,23,24);3-5,10,26H,2,6-9H2,1H3,(H,22,23,24);3-5,10-11H,6-9H2,1-2H3,(H,21,22,23).

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

3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol has a molecular weight of 1480.33 g/mol, XLogP of 18.40, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol is sourced from PubChem (CID 160957271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).