3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine

C79H88Cl7N27O2 — CID 159283652

About 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 159283652) has the molecular formula C79H88Cl7N27O2 and a molecular weight of 1695.93 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

• Compound Name: 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine
• PubChem CID: 159283652
• Molecular Formula: C79H88Cl7N27O2
• Molecular Weight: 1695.93 g/mol
• Exact Mass: 1691.54
• IUPAC Name: 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine
• SMILES: CC1(CN)CCN(c2cnc3c(n2)CN=C3Nc2ccnc(Cl)c2Cl)C1.CCC1(C)CCN(c2cnc(C#N)c(Cl)n2)C1.CCC1(C)CCN(c2cnc3c(N)nn(Cc4ccc(OC)cc4)c3n2)C1.CCC1(C)CCN(c2cnc3c(Nc4ccnc(Cl)c4Cl)nn(Cc4ccc(OC)cc4)c3n2)C1.N#Cc1ncc(Cl)nc1Cl
• InChI: InChI=1S/C25H27Cl2N7O.C20H26N6O.C17H19Cl2N7.C12H15ClN4.C5HCl2N3/c1-4-25(2)10-12-33(15-25)19-13-29-21-23(30-18-9-11-28-22(27)20(18)26)32-34(24(21)31-19)14-16-5-7-17(35-3)8-6-16;1-4-20(2)9-10-25(13-20)16-11-22-17-18(21)24-26(19(17)23-16)12-14-5-7-15(27-3)8-6-14;1-17(8-20)3-5-26(9-17)12-7-22-14-11(24-12)6-23-16(14)25-10-2-4-21-15(19)13(10)18;1-3-12(2)4-5-17(8-12)10-7-15-9(6-14)11(13)16-10;6-4-2-9-3(1-8)5(7)10-4/h5-9,11,13H,4,10,12,14-15H2,1-3H3,(H,28,30,32);5-8,11H,4,9-10,12-13H2,1-3H3,(H2,21,24);2,4,7H,3,5-6,8-9,20H2,1H3,(H,21,23,25);7H,3-5,8H2,1-2H3;2H
• InChIKey: KZFRDKPINBTCBT-UHFFFAOYSA-N
• XLogP: 16.06
• TPSA: 357.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.93
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine?

The IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine (CID 159283652) is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine.

What is the SMILES notation for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine?

The canonical SMILES for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine is CC1(CN)CCN(c2cnc3c(n2)CN=C3Nc2ccnc(Cl)c2Cl)C1.CCC1(C)CCN(c2cnc(C#N)c(Cl)n2)C1.CCC1(C)CCN(c2cnc3c(N)nn(Cc4ccc(OC)cc4)c3n2)C1.CCC1(C)CCN(c2cnc3c(Nc4ccnc(Cl)c4Cl)nn(Cc4ccc(OC)cc4)c3n2)C1.N#Cc1ncc(Cl)nc1Cl.

What is the InChIKey of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine?

The InChIKey is KZFRDKPINBTCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N7O.C20H26N6O.C17H19Cl2N7.C12H15ClN4.C5HCl2N3/c1-4-25(2)10-12-33(15-25)19-13-29-21-23(30-18-9-11-28-22(27)20(18)26)32-34(24(21)31-19)14-16-5-7-17(35-3)8-6-16;1-4-20(2)9-10-25(13-20)16-11-22-17-18(21)24-26(19(17)23-16)12-14-5-7-15(27-3)8-6-14;1-17(8-20)3-5-26(9-17)12-7-22-14-11(24-12)6-23-16(14)25-10-2-4-21-15(19)13(10)18;1-3-12(2)4-5-17(8-12)10-7-15-9(6-14)11(13)16-10;6-4-2-9-3(1-8)5(7)10-4/h5-9,11,13H,4,10,12,14-15H2,1-3H3,(H,28,30,32);5-8,11H,4,9-10,12-13H2,1-3H3,(H2,21,24);2,4,7H,3,5-6,8-9,20H2,1H3,(H,21,23,25);7H,3-5,8H2,1-2H3;2H.

What are the key properties of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine?

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 1695.93 g/mol, XLogP of 16.06, 17 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine;3-chloro-5-(3-ethyl-3-methylpyrrolidin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;N-(2,3-dichloro-4-pyridinyl)-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 159283652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).