1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone

C126H153Cl10F3N30O — CID 162135193

About 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone

1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone (PubChem CID 162135193) has the molecular formula C126H153Cl10F3N30O and a molecular weight of 2515.34 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone
• PubChem CID: 162135193
• Molecular Formula: C126H153Cl10F3N30O
• Molecular Weight: 2515.34 g/mol
• Exact Mass: 2508.97
• IUPAC Name: 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone
• SMILES: CC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCCC4)C(C)C3)cnc12.CC1CN(c2cnc3c(C(F)(F)F)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCC1CN(c2cnc3c(n2)C(C(C)c2ccc(Cl)cc2Cl)N=C3C#N)CCC1N1CCCCC1.CCC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1
• InChI: InChI=1S/C27H32Cl2N6.C25H29Cl2F3N6.C25H30Cl2N6O.C25H32Cl2N6.C24H30Cl2N6/c1-3-18-16-35(12-9-23(18)34-10-5-4-6-11-34)24-15-31-26-22(14-30)32-25(27(26)33-24)17(2)20-8-7-19(28)13-21(20)29;1-15-14-35(11-8-20(15)34-9-4-3-5-10-34)21-13-31-22-23(25(28,29)30)33-36(24(22)32-21)16(2)18-7-6-17(26)12-19(18)27;1-16-14-32(11-8-21(16)31-9-4-3-5-10-31)22-13-28-24-23(17(2)34)30-33(25(24)29-22)15-18-6-7-19(26)12-20(18)27;1-3-18-16-32(12-9-23(18)31-10-5-4-6-11-31)24-15-28-22-14-29-33(25(22)30-24)17(2)20-8-7-19(26)13-21(20)27;1-16-15-31(11-8-22(16)30-9-4-3-5-10-30)23-14-27-21-13-28-32(24(21)29-23)17(2)19-7-6-18(25)12-20(19)26/h7-8,13,15,17-18,23,25H,3-6,9-12,16H2,1-2H3;6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3;6-7,12-13,16,21H,3-5,8-11,14-15H2,1-2H3;7-8,13-15,17-18,23H,3-6,9-12,16H2,1-2H3;6-7,12-14,16-17,22H,3-5,8-11,15H2,1-2H3
• InChIKey: ZJEKPGCSWTZPDO-UHFFFAOYSA-N
• XLogP: 28.87
• TPSA: 285.80 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2515.34
LogP ≤ 5	28.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone?

The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone (CID 162135193) is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone.

What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone?

The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone is CC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCCC4)C(C)C3)cnc12.CC1CN(c2cnc3c(C(F)(F)F)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.CCC1CN(c2cnc3c(n2)C(C(C)c2ccc(Cl)cc2Cl)N=C3C#N)CCC1N1CCCCC1.CCC1CN(c2cnc3cnn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCCC1.

What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone?

The InChIKey is ZJEKPGCSWTZPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N6.C25H29Cl2F3N6.C25H30Cl2N6O.C25H32Cl2N6.C24H30Cl2N6/c1-3-18-16-35(12-9-23(18)34-10-5-4-6-11-34)24-15-31-26-22(14-30)32-25(27(26)33-24)17(2)20-8-7-19(28)13-21(20)29;1-15-14-35(11-8-20(15)34-9-4-3-5-10-34)21-13-31-22-23(25(28,29)30)33-36(24(22)32-21)16(2)18-7-6-17(26)12-19(18)27;1-16-14-32(11-8-21(16)31-9-4-3-5-10-31)22-13-28-24-23(17(2)34)30-33(25(24)29-22)15-18-6-7-19(26)12-20(18)27;1-3-18-16-32(12-9-23(18)31-10-5-4-6-11-31)24-15-28-22-14-29-33(25(22)30-24)17(2)20-8-7-19(26)13-21(20)27;1-16-15-31(11-8-22(16)30-9-4-3-5-10-30)23-14-27-21-13-28-32(24(21)29-23)17(2)19-7-6-18(25)12-20(19)26/h7-8,13,15,17-18,23,25H,3-6,9-12,16H2,1-2H3;6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3;6-7,12-13,16,21H,3-5,8-11,14-15H2,1-2H3;7-8,13-15,17-18,23H,3-6,9-12,16H2,1-2H3;6-7,12-14,16-17,22H,3-5,8-11,15H2,1-2H3.

What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone?

1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone has a molecular weight of 2515.34 g/mol, XLogP of 28.87, 23 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;5-[1-(2,4-dichlorophenyl)ethyl]-3-(3-ethyl-4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-7-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine;1-[1-[(2,4-dichlorophenyl)methyl]-6-(3-methyl-4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazin-3-yl]ethanone is sourced from PubChem (CID 162135193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).