bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one

C69H66Cl4N24O16 — CID 157071829

About bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one

bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one (PubChem CID 157071829) has the molecular formula C69H66Cl4N24O16 and a molecular weight of 1629.25 g/mol. Its IUPAC name is bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one.

Molecular Properties

• Compound Name: bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one
• PubChem CID: 157071829
• Molecular Formula: C69H66Cl4N24O16
• Molecular Weight: 1629.25 g/mol
• Exact Mass: 1626.38
• IUPAC Name: bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one
• SMILES: CC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1.CC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1.CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.CN1CCNCC1=O.O=C1CNCCN1
• InChI: InChI=1S/2C17H15ClN6O4.2C13H9ClN4O3.C5H10N2O.C4H8N2O/c2*1-22-6-7-23(9-12(22)25)17(27)28-16-14-13(19-4-5-20-14)15(26)24(16)11-3-2-10(18)8-21-11;2*1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9;1-7-3-2-6-4-5(7)8;7-4-3-5-1-2-6-4/h2*2-5,8,16H,6-7,9H2,1H3;2*2-6,13H,1H3;6H,2-4H2,1H3;5H,1-3H2,(H,6,7)
• InChIKey: ACNDJOIFEJHTHZ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 461.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 8
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1629.25
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one?

The IUPAC name of bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one (CID 157071829) is bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one.

What is the SMILES notation for bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one?

The canonical SMILES for bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one is CC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1.CC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1.CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.CN1CCNCC1=O.O=C1CNCCN1.

What is the InChIKey of bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one?

The InChIKey is ACNDJOIFEJHTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15ClN6O4.2C13H9ClN4O3.C5H10N2O.C4H8N2O/c2*1-22-6-7-23(9-12(22)25)17(27)28-16-14-13(19-4-5-20-14)15(26)24(16)11-3-2-10(18)8-21-11;2*1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9;1-7-3-2-6-4-5(7)8;7-4-3-5-1-2-6-4/h2*2-5,8,16H,6-7,9H2,1H3;2*2-6,13H,1H3;6H,2-4H2,1H3;5H,1-3H2,(H,6,7).

What are the key properties of bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one?

bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one has a molecular weight of 1629.25 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate);bis([6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate);1-methylpiperazin-2-one;piperazin-2-one is sourced from PubChem (CID 157071829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).