[(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate

C16H11ClN6O5 — CID 58819947

IUPAC[(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate
SMILESO=C1CN(C(=O)O[C@@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC(=O)N1
InChIInChI=1S/C16H11ClN6O5/c17-8-1-2-9(20-5-8)23-14(26)12-13(19-4-3-18-12)15(23)28-16(27)22-6-10(24)21-11(25)7-22/h1-5,15H,6-7H2,(H,21,24,25)/t15-/m1/s1
InChIKeyYBEPABOKTHWPCO-OAHLLOKOSA-N
MW402.75 g/mol
LogP0.28
Rot. Bonds2

About [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate

[(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate (PubChem CID 58819947) has the molecular formula C16H11ClN6O5 and a molecular weight of 402.75 g/mol. Its IUPAC name is [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate.

Molecular Properties

Compound Name[(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate
PubChem CID58819947
Molecular FormulaC16H11ClN6O5
Molecular Weight402.75 g/mol
Exact Mass402.05
IUPAC Name[(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate
SMILESO=C1CN(C(=O)O[C@@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC(=O)N1
InChIInChI=1S/C16H11ClN6O5/c17-8-1-2-9(20-5-8)23-14(26)12-13(19-4-3-18-12)15(23)28-16(27)22-6-10(24)21-11(25)7-22/h1-5,15H,6-7H2,(H,21,24,25)/t15-/m1/s1
InChIKeyYBEPABOKTHWPCO-OAHLLOKOSA-N
XLogP0.28
TPSA134.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.75
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate?
The IUPAC name of [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate (CID 58819947) is [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate.
What is the SMILES notation for [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate?
The canonical SMILES for [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate is O=C1CN(C(=O)O[C@@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC(=O)N1.
What is the InChIKey of [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate?
The InChIKey is YBEPABOKTHWPCO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H11ClN6O5/c17-8-1-2-9(20-5-8)23-14(26)12-13(19-4-3-18-12)15(23)28-16(27)22-6-10(24)21-11(25)7-22/h1-5,15H,6-7H2,(H,21,24,25)/t15-/m1/s1.
What are the key properties of [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate?
[(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate has a molecular weight of 402.75 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3,5-dioxopiperazine-1-carboxylate is sourced from PubChem (CID 58819947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).