carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol

C129H159Cl10N33O10 — CID 159027782

About carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol

carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol (PubChem CID 159027782) has the molecular formula C129H159Cl10N33O10 and a molecular weight of 2686.44 g/mol. Its IUPAC name is carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol
• PubChem CID: 159027782
• Molecular Formula: C129H159Cl10N33O10
• Molecular Weight: 2686.44 g/mol
• Exact Mass: 2679.98
• IUPAC Name: carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol
• SMILES: CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCC4C(=O)O)C(C(C)(C)O)C3)nc21.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(C4CCCNC4)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC(C)C4)C(CO)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CO)C(C(N)=O)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CO)C(C(N)=O)C3)cnc12.O=C=O
• InChI: InChI=1S/C27H31Cl2N7O3.C26H34Cl2N6O.2C25H31Cl2N7O2.C25H32Cl2N6.CO2/c1-15(17-7-6-16(28)11-19(17)29)36-25-24(20(12-30)33-36)31-13-23(32-25)34-10-8-21(18(14-34)27(2,3)39)35-9-4-5-22(35)26(37)38;1-16-5-4-9-32(13-16)23-8-10-33(14-19(23)15-35)24-12-29-25-17(2)31-34(26(25)30-24)18(3)21-7-6-20(27)11-22(21)28;2*1-14-23-25(34(31-14)15(2)18-6-5-16(26)10-20(18)27)30-22(11-29-23)32-9-7-21(19(12-32)24(28)36)33-8-3-4-17(33)13-35;1-15-14-32(10-8-20(15)18-5-4-9-28-12-18)23-13-29-24-16(2)31-33(25(24)30-23)17(3)21-7-6-19(26)11-22(21)27;2-1-3/h6-7,11,13,15,18,21-22,39H,4-5,8-10,14H2,1-3H3,(H,37,38);6-7,11-12,16,18-19,23,35H,4-5,8-10,13-15H2,1-3H3;2*5-6,10-11,15,17,19,21,35H,3-4,7-9,12-13H2,1-2H3,(H2,28,36);6-7,11,13,15,17-18,20,28H,4-5,8-10,12,14H2,1-3H3
• InChIKey: JUMLIOTYLVYKCA-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 521.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2686.44
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol (CID 159027782) is carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol.

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

The canonical SMILES for carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol is CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CCC(N4CCCC4C(=O)O)C(C(C)(C)O)C3)nc21.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(C4CCCNC4)C(C)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC(C)C4)C(CO)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CO)C(C(N)=O)C3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4CO)C(C(N)=O)C3)cnc12.O=C=O.

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

The InChIKey is JUMLIOTYLVYKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31Cl2N7O3.C26H34Cl2N6O.2C25H31Cl2N7O2.C25H32Cl2N6.CO2/c1-15(17-7-6-16(28)11-19(17)29)36-25-24(20(12-30)33-36)31-13-23(32-25)34-10-8-21(18(14-34)27(2,3)39)35-9-4-5-22(35)26(37)38;1-16-5-4-9-32(13-16)23-8-10-33(14-19(23)15-35)24-12-29-25-17(2)31-34(26(25)30-24)18(3)21-7-6-20(27)11-22(21)28;2*1-14-23-25(34(31-14)15(2)18-6-5-16(26)10-20(18)27)30-22(11-29-23)32-9-7-21(19(12-32)24(28)36)33-8-3-4-17(33)13-35;1-15-14-32(10-8-20(15)18-5-4-9-28-12-18)23-13-29-24-16(2)31-33(25(24)30-23)17(3)21-7-6-19(26)11-22(21)27;2-1-3/h6-7,11,13,15,18,21-22,39H,4-5,8-10,14H2,1-3H3,(H,37,38);6-7,11-12,16,18-19,23,35H,4-5,8-10,13-15H2,1-3H3;2*5-6,10-11,15,17,19,21,35H,3-4,7-9,12-13H2,1-2H3,(H2,28,36);6-7,11,13,15,17-18,20,28H,4-5,8-10,12,14H2,1-3H3;.

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

carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol has a molecular weight of 2686.44 g/mol, XLogP of 20.40, 27 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;1-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-(2-hydroxypropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;bis(1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-3-carboxamide);[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-4-(3-methylpiperidin-1-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 159027782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).