4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one

C12H11ClN4O2 — CID 90202720

IUPAC4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one
SMILESO=C1CC(COc2nc(Cl)cc3nccnc23)CN1
InChIInChI=1S/C12H11ClN4O2/c13-9-4-8-11(15-2-1-14-8)12(17-9)19-6-7-3-10(18)16-5-7/h1-2,4,7H,3,5-6H2,(H,16,18)
InChIKeyYQLOOSZWYKJBDY-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.19
Rot. Bonds3

About 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one

4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one (PubChem CID 90202720) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one
PubChem CID90202720
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one
SMILESO=C1CC(COc2nc(Cl)cc3nccnc23)CN1
InChIInChI=1S/C12H11ClN4O2/c13-9-4-8-11(15-2-1-14-8)12(17-9)19-6-7-3-10(18)16-5-7/h1-2,4,7H,3,5-6H2,(H,16,18)
InChIKeyYQLOOSZWYKJBDY-UHFFFAOYSA-N
XLogP1.19
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one (CID 90202720) is 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one is O=C1CC(COc2nc(Cl)cc3nccnc23)CN1.
What is the InChIKey of 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one?
The InChIKey is YQLOOSZWYKJBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-9-4-8-11(15-2-1-14-8)12(17-9)19-6-7-3-10(18)16-5-7/h1-2,4,7H,3,5-6H2,(H,16,18).
What are the key properties of 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one?
4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one has a molecular weight of 278.70 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 90202720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).