(6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one

C12H11ClN4O3 — CID 90202581

IUPAC(6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one
SMILESO=C1CO[C@H](COc2nc(Cl)cc3nccnc23)CN1
InChIInChI=1S/C12H11ClN4O3/c13-9-3-8-11(15-2-1-14-8)12(17-9)20-5-7-4-16-10(18)6-19-7/h1-3,7H,4-6H2,(H,16,18)/t7-/m0/s1
InChIKeyFPWPXQVTCDGIFD-ZETCQYMHSA-N
MW294.70 g/mol
LogP0.57
Rot. Bonds3

About (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one

(6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one (PubChem CID 90202581) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one.

Molecular Properties

Compound Name(6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one
PubChem CID90202581
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name(6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one
SMILESO=C1CO[C@H](COc2nc(Cl)cc3nccnc23)CN1
InChIInChI=1S/C12H11ClN4O3/c13-9-3-8-11(15-2-1-14-8)12(17-9)20-5-7-4-16-10(18)6-19-7/h1-3,7H,4-6H2,(H,16,18)/t7-/m0/s1
InChIKeyFPWPXQVTCDGIFD-ZETCQYMHSA-N
XLogP0.57
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one?
The IUPAC name of (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one (CID 90202581) is (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one.
What is the SMILES notation for (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one?
The canonical SMILES for (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one is O=C1CO[C@H](COc2nc(Cl)cc3nccnc23)CN1.
What is the InChIKey of (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one?
The InChIKey is FPWPXQVTCDGIFD-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c13-9-3-8-11(15-2-1-14-8)12(17-9)20-5-7-4-16-10(18)6-19-7/h1-3,7H,4-6H2,(H,16,18)/t7-/m0/s1.
What are the key properties of (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one?
(6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one has a molecular weight of 294.70 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one is sourced from PubChem (CID 90202581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).