6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate

C61H56Cl4N22O12 — CID 159806198

About 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate

6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate (PubChem CID 159806198) has the molecular formula C61H56Cl4N22O12 and a molecular weight of 1431.07 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
• PubChem CID: 159806198
• Molecular Formula: C61H56Cl4N22O12
• Molecular Weight: 1431.07 g/mol
• Exact Mass: 1428.32
• IUPAC Name: 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
• SMILES: CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1.C[N+]1([O-])CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1.O=C(O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1)N1CCNCC1.O=C1c2nccnc2C(O)N1c1ccc(Cl)cn1
• InChI: InChI=1S/C17H17ClN6O4.C17H17ClN6O3.C16H15ClN6O3.C11H7ClN4O2/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12;1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12;17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22;12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h2-5,10,16H,6-9H2,1H3;2-5,10,16H,6-9H2,1H3;1-4,9,15,18H,5-8H2;1-5,10,17H/t2*16-;15-;/m000./s1
• InChIKey: NKKRSVCFQCXEQO-ZEEZBPGGSA-N
• XLogP: 5.55
• TPSA: 383.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 7
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1431.07
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate?

The IUPAC name of 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate (CID 159806198) is 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate.

What is the SMILES notation for 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate?

The canonical SMILES for 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate is CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1.C[N+]1([O-])CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1.O=C(O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1)N1CCNCC1.O=C1c2nccnc2C(O)N1c1ccc(Cl)cn1.

What is the InChIKey of 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate?

The InChIKey is NKKRSVCFQCXEQO-ZEEZBPGGSA-N. The full InChI is InChI=1S/C17H17ClN6O4.C17H17ClN6O3.C16H15ClN6O3.C11H7ClN4O2/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12;1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12;17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22;12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h2-5,10,16H,6-9H2,1H3;2-5,10,16H,6-9H2,1H3;1-4,9,15,18H,5-8H2;1-5,10,17H/t2*16-;15-;/m000./s1.

What are the key properties of 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate?

6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate has a molecular weight of 1431.07 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate is sourced from PubChem (CID 159806198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).