carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide

C133H147Cl10N31O5S — CID 159383805

About carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide

carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide (PubChem CID 159383805) has the molecular formula C133H147Cl10N31O5S and a molecular weight of 2646.45 g/mol. Its IUPAC name is carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide
• PubChem CID: 159383805
• Molecular Formula: C133H147Cl10N31O5S
• Molecular Weight: 2646.45 g/mol
• Exact Mass: 2639.88
• IUPAC Name: carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide
• SMILES: CC1CC(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCCC1C.CC1CC(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCCC1C.CC1CC(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCCC1CNS(C)(=O)=O.CCC1CCCN1C1CC=C(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CC1C.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(C3=CCC(N4CCCC4C(N)=O)C(C)C3)cnc12.O=C=O
• InChI: InChI=1S/C27H31Cl2N7O2S.C27H30Cl2N6.C26H30Cl2N6O.2C26H28Cl2N6.CO2/c1-16-11-18(6-9-25(16)35-10-4-5-20(35)14-32-39(3,37)38)24-15-31-26-23(13-30)34-36(27(26)33-24)17(2)21-8-7-19(28)12-22(21)29;1-4-20-6-5-11-34(20)25-10-7-18(12-16(25)2)24-15-31-26-23(14-30)33-35(27(26)32-24)17(3)21-9-8-19(28)13-22(21)29;1-14-11-17(6-9-22(14)33-10-4-5-23(33)25(29)35)21-13-30-24-15(2)32-34(26(24)31-21)16(3)19-8-7-18(27)12-20(19)28;2*1-15-11-18(6-9-24(15)33-10-4-5-16(33)2)23-14-30-25-22(13-29)32-34(26(25)31-23)17(3)20-8-7-19(27)12-21(20)28;2-1-3/h6-8,12,15-17,20,25,32H,4-5,9-11,14H2,1-3H3;7-9,13,15-17,20,25H,4-6,10-12H2,1-3H3;6-8,12-14,16,22-23H,4-5,9-11H2,1-3H3,(H2,29,35);2*6-8,12,14-17,24H,4-5,9-11H2,1-3H3
• InChIKey: LLFXVZSAWGEAGC-UHFFFAOYSA-N
• XLogP: 28.64
• TPSA: 452.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2646.45
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide?

The IUPAC name of carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide (CID 159383805) is carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide is CC1CC(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCCC1C.CC1CC(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCCC1C.CC1CC(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCCC1CNS(C)(=O)=O.CCC1CCCN1C1CC=C(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)CC1C.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(C3=CCC(N4CCCC4C(N)=O)C(C)C3)cnc12.O=C=O.

What is the InChIKey of carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide?

The InChIKey is LLFXVZSAWGEAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31Cl2N7O2S.C27H30Cl2N6.C26H30Cl2N6O.2C26H28Cl2N6.CO2/c1-16-11-18(6-9-25(16)35-10-4-5-20(35)14-32-39(3,37)38)24-15-31-26-23(13-30)34-36(27(26)33-24)17(2)21-8-7-19(28)12-22(21)29;1-4-20-6-5-11-34(20)25-10-7-18(12-16(25)2)24-15-31-26-23(14-30)33-35(27(26)32-24)17(3)21-9-8-19(28)13-22(21)29;1-14-11-17(6-9-22(14)33-10-4-5-23(33)25(29)35)21-13-30-24-15(2)32-34(26(24)31-21)16(3)19-8-7-18(27)12-20(19)28;2*1-15-11-18(6-9-24(15)33-10-4-5-16(33)2)23-14-30-25-22(13-29)32-34(26(25)31-23)17(3)20-8-7-19(27)12-21(20)28;2-1-3/h6-8,12,15-17,20,25,32H,4-5,9-11,14H2,1-3H3;7-9,13,15-17,20,25H,4-6,10-12H2,1-3H3;6-8,12-14,16,22-23H,4-5,9-11H2,1-3H3,(H2,29,35);2*6-8,12,14-17,24H,4-5,9-11H2,1-3H3;.

What are the key properties of carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide?

carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 2646.45 g/mol, XLogP of 28.64, 25 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;N-[[1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methyl]methanesulfonamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-[4-(2-ethylpyrrolidin-1-yl)-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;bis(1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile);1-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 159383805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).