3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-ol

C110H117Cl11N30O — CID 158585462

About 3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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 158585462) has the molecular formula C110H117Cl11N30O and a molecular weight of 2265.34 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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: 158585462
• Molecular Formula: C110H117Cl11N30O
• Molecular Weight: 2265.34 g/mol
• Exact Mass: 2258.66
• IUPAC Name: 3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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)c4Cl)[nH]nc3n2)CC1.CC1[C@H]2CN(c3cnc4c(-c5cccc(Cl)c5Cl)[nH]nc4n3)C[C@@H]12.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[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/2C19H21Cl2N5.C19H22ClN5.C18H19Cl2N5O.C18H19Cl2N5.C17H15Cl2N5/c2*1-3-19(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)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)11-4-3-5-12(19)14(11)20;1-8-10-6-24(7-11(8)10)13-5-20-16-15(22-23-17(16)21-13)9-3-2-4-12(18)14(9)19/h2*4-6,11H,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);3-5,10H,6-9H2,1-2H3,(H,22,23,24);2-5,8,10-11H,6-7H2,1H3,(H,21,22,23)/t;;;;;8?,10-,11+
• InChIKey: HTTRCZYPLDBUGO-ZPXJCFNZSA-N
• XLogP: 28.43
• TPSA: 366.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2265.34
LogP ≤ 5	28.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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 158585462) is 3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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)c4Cl)[nH]nc3n2)CC1.CC1[C@H]2CN(c3cnc4c(-c5cccc(Cl)c5Cl)[nH]nc4n3)C[C@@H]12.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[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-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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 HTTRCZYPLDBUGO-ZPXJCFNZSA-N. The full InChI is InChI=1S/2C19H21Cl2N5.C19H22ClN5.C18H19Cl2N5O.C18H19Cl2N5.C17H15Cl2N5/c2*1-3-19(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)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)11-4-3-5-12(19)14(11)20;1-8-10-6-24(7-11(8)10)13-5-20-16-15(22-23-17(16)21-13)9-3-2-4-12(18)14(9)19/h2*4-6,11H,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);3-5,10H,6-9H2,1-2H3,(H,22,23,24);2-5,8,10-11H,6-7H2,1H3,(H,21,22,23)/t;;;;;8?,10-,11+.

What are the key properties of 3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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 2265.34 g/mol, XLogP of 28.43, 16 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);3-(2,3-dichlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-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 158585462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).