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

C66H58Cl6N24O16 — CID 158965612

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

bis(6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one);[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-oxopiperazine-1-carboxylate;4-methyl-3-oxopiperazine-1-carbonyl chloride;3-oxopiperazine-1-carbonyl chloride (PubChem CID 158965612) has the molecular formula C66H58Cl6N24O16 and a molecular weight of 1656.06 g/mol. Its IUPAC name is bis(6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one);[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-oxopiperazine-1-carboxylate;4-methyl-3-oxopiperazine-1-carbonyl chloride;3-oxopiperazine-1-carbonyl chloride.

Molecular Properties

• Compound Name: bis(6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one);[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-oxopiperazine-1-carboxylate;4-methyl-3-oxopiperazine-1-carbonyl chloride;3-oxopiperazine-1-carbonyl chloride
• PubChem CID: 158965612
• Molecular Formula: C66H58Cl6N24O16
• Molecular Weight: 1656.06 g/mol
• Exact Mass: 1652.26
• IUPAC Name: bis(6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one);[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-oxopiperazine-1-carboxylate;4-methyl-3-oxopiperazine-1-carbonyl chloride;3-oxopiperazine-1-carbonyl chloride
• SMILES: CN1CCN(C(=O)Cl)CC1=O.CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.O=C1CN(C(=O)Cl)CCN1.O=C1CN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CCN1.O=C1c2nccnc2C(O)N1c1ccc(Cl)cn1.O=C1c2nccnc2C(O)N1c1ccc(Cl)cn1
• InChI: InChI=1S/C17H15ClN6O4.C16H13ClN6O4.2C11H7ClN4O2.C6H9ClN2O2.C5H7ClN2O2/c1-22-6-7-23(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;17-9-1-2-10(21-7-9)23-14(25)12-13(20-4-3-19-12)15(23)27-16(26)22-6-5-18-11(24)8-22;2*12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8;1-8-2-3-9(6(7)11)4-5(8)10;6-5(10)8-2-1-7-4(9)3-8/h2-5,8,16H,6-7,9H2,1H3;1-4,7,15H,5-6,8H2,(H,18,24);2*1-5,10,17H;2-4H2,1H3;1-3H2,(H,7,9)
• InChIKey: JNDVPDBYTKWLRB-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 474.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 6
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1656.06
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of bis(6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one);[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-oxopiperazine-1-carboxylate;4-methyl-3-oxopiperazine-1-carbonyl chloride;3-oxopiperazine-1-carbonyl chloride (CID 158965612) is bis(6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one);[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-oxopiperazine-1-carboxylate;4-methyl-3-oxopiperazine-1-carbonyl chloride;3-oxopiperazine-1-carbonyl chloride.

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

The canonical SMILES for bis(6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one);[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-oxopiperazine-1-carboxylate;4-methyl-3-oxopiperazine-1-carbonyl chloride;3-oxopiperazine-1-carbonyl chloride is CN1CCN(C(=O)Cl)CC1=O.CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.O=C1CN(C(=O)Cl)CCN1.O=C1CN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CCN1.O=C1c2nccnc2C(O)N1c1ccc(Cl)cn1.O=C1c2nccnc2C(O)N1c1ccc(Cl)cn1.

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

The InChIKey is JNDVPDBYTKWLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O4.C16H13ClN6O4.2C11H7ClN4O2.C6H9ClN2O2.C5H7ClN2O2/c1-22-6-7-23(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;17-9-1-2-10(21-7-9)23-14(25)12-13(20-4-3-19-12)15(23)27-16(26)22-6-5-18-11(24)8-22;2*12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8;1-8-2-3-9(6(7)11)4-5(8)10;6-5(10)8-2-1-7-4(9)3-8/h2-5,8,16H,6-7,9H2,1H3;1-4,7,15H,5-6,8H2,(H,18,24);2*1-5,10,17H;2-4H2,1H3;1-3H2,(H,7,9).

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

bis(6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one);[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-oxopiperazine-1-carboxylate;4-methyl-3-oxopiperazine-1-carbonyl chloride;3-oxopiperazine-1-carbonyl chloride has a molecular weight of 1656.06 g/mol, XLogP of 4.10, 6 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one);[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-oxopiperazine-1-carboxylate;4-methyl-3-oxopiperazine-1-carbonyl chloride;3-oxopiperazine-1-carbonyl chloride is sourced from PubChem (CID 158965612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).