carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol

C125H151Cl10N33O7 — CID 159954137

About carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol

carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 159954137) has the molecular formula C125H151Cl10N33O7 and a molecular weight of 2582.34 g/mol. Its IUPAC name is carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 159954137
• Molecular Formula: C125H151Cl10N33O7
• Molecular Weight: 2582.34 g/mol
• Exact Mass: 2575.94
• IUPAC Name: carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol
• SMILES: CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCCC4)C(CO)C3)nc21.CC(c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(N3CCC(N4CCCCC4)C(CO)C3)nc21.CC1CN(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCC1CO.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4C)CC3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CO)C(C)C3)cnc12.O=C=O
• InChI: InChI=1S/C25H31Cl2N7O2.2C25H29Cl2N7O.C25H32Cl2N6O.C24H30Cl2N6.CO2/c1-15(18-6-5-17(26)11-19(18)27)34-25-23(22(31-34)24(28)36)29-12-21(30-25)33-10-7-20(16(13-33)14-35)32-8-3-2-4-9-32;1-15-13-32(9-7-22(15)33-8-3-4-18(33)14-35)23-12-29-24-21(11-28)31-34(25(24)30-23)16(2)19-6-5-17(26)10-20(19)27;1-16(19-6-5-18(26)11-20(19)27)34-25-24(21(12-28)31-34)29-13-23(30-25)33-10-7-22(17(14-33)15-35)32-8-3-2-4-9-32;1-15-13-31(10-8-22(15)32-9-4-5-19(32)14-34)23-12-28-24-16(2)30-33(25(24)29-23)17(3)20-7-6-18(26)11-21(20)27;1-15-5-4-10-31(15)19-8-11-30(12-9-19)22-14-27-23-16(2)29-32(24(23)28-22)17(3)20-7-6-18(25)13-21(20)26;2-1-3/h5-6,11-12,15-16,20,35H,2-4,7-10,13-14H2,1H3,(H2,28,36);5-6,10,12,15-16,18,22,35H,3-4,7-9,13-14H2,1-2H3;5-6,11,13,16-17,22,35H,2-4,7-10,14-15H2,1H3;6-7,11-12,15,17,19,22,34H,4-5,8-10,13-14H2,1-3H3;6-7,13-15,17,19H,4-5,8-12H2,1-3H3
• InChIKey: OCMOAAGGCBOTDE-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 456.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2582.34
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol (CID 159954137) is carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol is CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCCC4)C(CO)C3)nc21.CC(c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(N3CCC(N4CCCCC4)C(CO)C3)nc21.CC1CN(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CCC1N1CCCC1CO.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4C)CC3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CO)C(C)C3)cnc12.O=C=O.

What is the InChIKey of carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol?

The InChIKey is OCMOAAGGCBOTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N7O2.2C25H29Cl2N7O.C25H32Cl2N6O.C24H30Cl2N6.CO2/c1-15(18-6-5-17(26)11-19(18)27)34-25-23(22(31-34)24(28)36)29-12-21(30-25)33-10-7-20(16(13-33)14-35)32-8-3-2-4-9-32;1-15-13-32(9-7-22(15)33-8-3-4-18(33)14-35)23-12-29-24-21(11-28)31-34(25(24)30-23)16(2)19-6-5-17(26)10-20(19)27;1-16(19-6-5-18(26)11-20(19)27)34-25-24(21(12-28)31-34)29-13-23(30-25)33-10-7-22(17(14-33)15-35)32-8-3-2-4-9-32;1-15-13-31(10-8-22(15)32-9-4-5-19(32)14-34)23-12-28-24-16(2)30-33(25(24)29-23)17(3)20-7-6-18(26)11-21(20)27;1-15-5-4-10-31(15)19-8-11-30(12-9-19)22-14-27-23-16(2)29-32(24(23)28-22)17(3)20-7-6-18(25)13-21(20)26;2-1-3/h5-6,11-12,15-16,20,35H,2-4,7-10,13-14H2,1H3,(H2,28,36);5-6,10,12,15-16,18,22,35H,3-4,7-9,13-14H2,1-2H3;5-6,11,13,16-17,22,35H,2-4,7-10,14-15H2,1H3;6-7,11-12,15,17,19,22,34H,4-5,8-10,13-14H2,1-3H3;6-7,13-15,17,19H,4-5,8-12H2,1-3H3;.

What are the key properties of carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol?

carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 2582.34 g/mol, XLogP of 21.73, 25 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(hydroxymethyl)-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[1-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 159954137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).