1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate

C103H128Cl8N26O6 — CID 159771939

About 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate

1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate (PubChem CID 159771939) has the molecular formula C103H128Cl8N26O6 and a molecular weight of 2109.96 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate.

Molecular Properties

• Compound Name: 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate
• PubChem CID: 159771939
• Molecular Formula: C103H128Cl8N26O6
• Molecular Weight: 2109.96 g/mol
• Exact Mass: 2104.80
• IUPAC Name: 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate
• SMILES: CC1CCCCN1C1CCN(c2cnc3c(C(N)=O)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CC1.CC1CN(c2cnc3c(C(N)=O)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCOC(=O)c1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCCC4)C(C)C3)cnc12.CCOC(=O)c1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCCC4)CC3)cnc12
• InChI: InChI=1S/C27H34Cl2N6O2.C26H32Cl2N6O2.2C25H31Cl2N7O/c1-4-37-27(36)25-24-26(35(32-25)18(3)20-9-8-19(28)14-21(20)29)31-23(15-30-24)34-13-10-22(17(2)16-34)33-11-6-5-7-12-33;1-3-36-26(35)24-23-25(34(31-24)17(2)20-8-7-18(27)15-21(20)28)30-22(16-29-23)33-13-9-19(10-14-33)32-11-5-4-6-12-32;1-15-5-3-4-10-33(15)18-8-11-32(12-9-18)21-14-29-23-22(24(28)35)31-34(25(23)30-21)16(2)19-7-6-17(26)13-20(19)27;1-15-14-33(11-8-20(15)32-9-4-3-5-10-32)21-13-29-23-22(24(28)35)31-34(25(23)30-21)16(2)18-7-6-17(26)12-19(18)27/h8-9,14-15,17-18,22H,4-7,10-13,16H2,1-3H3;7-8,15-17,19H,3-6,9-14H2,1-2H3;6-7,13-16,18H,3-5,8-12H2,1-2H3,(H2,28,35);6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3,(H2,28,35)
• InChIKey: NGFMCSLUCTWFGX-UHFFFAOYSA-N
• XLogP: 20.22
• TPSA: 339.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2109.96
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate?

The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate (CID 159771939) is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate.

What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate?

The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate is CC1CCCCN1C1CCN(c2cnc3c(C(N)=O)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CC1.CC1CN(c2cnc3c(C(N)=O)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCOC(=O)c1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCCC4)C(C)C3)cnc12.CCOC(=O)c1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCCC4)CC3)cnc12.

What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate?

The InChIKey is NGFMCSLUCTWFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Cl2N6O2.C26H32Cl2N6O2.2C25H31Cl2N7O/c1-4-37-27(36)25-24-26(35(32-25)18(3)20-9-8-19(28)14-21(20)29)31-23(15-30-24)34-13-10-22(17(2)16-34)33-11-6-5-7-12-33;1-3-36-26(35)24-23-25(34(31-24)17(2)20-8-7-18(27)15-21(20)28)30-22(16-29-23)33-13-9-19(10-14-33)32-11-5-4-6-12-32;1-15-5-3-4-10-33(15)18-8-11-32(12-9-18)21-14-29-23-22(24(28)35)31-34(25(23)30-21)16(2)19-7-6-17(26)13-20(19)27;1-15-14-33(11-8-20(15)32-9-4-3-5-10-32)21-13-29-23-22(24(28)35)31-34(25(23)30-21)16(2)18-7-6-17(26)12-19(18)27/h8-9,14-15,17-18,22H,4-7,10-13,16H2,1-3H3;7-8,15-17,19H,3-6,9-14H2,1-2H3;6-7,13-16,18H,3-5,8-12H2,1-2H3,(H2,28,35);6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3,(H2,28,35).

What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate?

1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate has a molecular weight of 2109.96 g/mol, XLogP of 20.22, 22 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine-3-carboxylate is sourced from PubChem (CID 159771939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).