6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile

C132H145Cl10N33O3S — CID 158057880

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

6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile (PubChem CID 158057880) has the molecular formula C132H145Cl10N33O3S and a molecular weight of 2628.44 g/mol. Its IUPAC name is 6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
• PubChem CID: 158057880
• Molecular Formula: C132H145Cl10N33O3S
• Molecular Weight: 2628.44 g/mol
• Exact Mass: 2621.88
• IUPAC Name: 6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
• 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(N)=O.CC1CC(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCCC1CN.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
• InChI: InChI=1S/C27H31Cl2N7O2S.C27H30Cl2N6.C26H27Cl2N7O.C26H29Cl2N7.C26H28Cl2N6/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;1-14-10-16(5-8-22(14)34-9-3-4-23(34)25(30)36)21-13-31-24-20(12-29)33-35(26(24)32-21)15(2)18-7-6-17(27)11-19(18)28;1-15-10-17(5-8-24(15)34-9-3-4-19(34)12-29)23-14-31-25-22(13-30)33-35(26(25)32-23)16(2)20-7-6-18(27)11-21(20)28;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/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;5-7,11,13-15,22-23H,3-4,8-10H2,1-2H3,(H2,30,36);5-7,11,14-16,19,24H,3-4,8-10,12,29H2,1-2H3;6-8,12,14-17,24H,4-5,9-11H2,1-3H3
• InChIKey: FKHDBBGJZWLJEC-UHFFFAOYSA-N
• XLogP: 27.73
• TPSA: 468.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2628.44
LogP ≤ 5	27.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile (CID 158057880) is 6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile.

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

The canonical SMILES for 6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile 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(N)=O.CC1CC(c2cnc3c(C#N)nn(C(C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCCC1CN.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.

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

The InChIKey is FKHDBBGJZWLJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31Cl2N7O2S.C27H30Cl2N6.C26H27Cl2N7O.C26H29Cl2N7.C26H28Cl2N6/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;1-14-10-16(5-8-22(14)34-9-3-4-23(34)25(30)36)21-13-31-24-20(12-29)33-35(26(24)32-21)15(2)18-7-6-17(27)11-19(18)28;1-15-10-17(5-8-24(15)34-9-3-4-19(34)12-29)23-14-31-25-22(13-30)33-35(26(25)32-23)16(2)20-7-6-18(27)11-21(20)28;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/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;5-7,11,13-15,22-23H,3-4,8-10H2,1-2H3,(H2,30,36);5-7,11,14-16,19,24H,3-4,8-10,12,29H2,1-2H3;6-8,12,14-17,24H,4-5,9-11H2,1-3H3.

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

6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile has a molecular weight of 2628.44 g/mol, XLogP of 27.73, 26 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[4-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide;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;1-[1-(2,4-dichlorophenyl)ethyl]-6-[5-methyl-4-(2-methylpyrrolidin-1-yl)cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile is sourced from PubChem (CID 158057880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).