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

C13H13ClN4O2 — CID 118468507

IUPAC5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one
SMILESO=C1CCC(COc2nc(Cl)cc3nccnc23)CN1
InChIInChI=1S/C13H13ClN4O2/c14-10-5-9-12(16-4-3-15-9)13(18-10)20-7-8-1-2-11(19)17-6-8/h3-5,8H,1-2,6-7H2,(H,17,19)
InChIKeyKXJLOFIUFIFRBB-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.58
Rot. Bonds3

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

5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one (PubChem CID 118468507) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one.

Molecular Properties

Compound Name5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one
PubChem CID118468507
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one
SMILESO=C1CCC(COc2nc(Cl)cc3nccnc23)CN1
InChIInChI=1S/C13H13ClN4O2/c14-10-5-9-12(16-4-3-15-9)13(18-10)20-7-8-1-2-11(19)17-6-8/h3-5,8H,1-2,6-7H2,(H,17,19)
InChIKeyKXJLOFIUFIFRBB-UHFFFAOYSA-N
XLogP1.58
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.58
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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Related Compounds

4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one
CID 90202720
(6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one
CID 90202581
2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine
CID 90202819
2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride
CID 118468513
(4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
CID 118633325
(4S)-4-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one;sulfane
CID 160729539
4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
CID 118624756
(2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide
CID 90213281
ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
CID 144516320
N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine
CID 66557055
5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine
CID 66554494
7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride
CID 86706998

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one?
The IUPAC name of 5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one (CID 118468507) is 5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one.
What is the SMILES notation for 5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one?
The canonical SMILES for 5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one is O=C1CCC(COc2nc(Cl)cc3nccnc23)CN1.
What is the InChIKey of 5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one?
The InChIKey is KXJLOFIUFIFRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-10-5-9-12(16-4-3-15-9)13(18-10)20-7-8-1-2-11(19)17-6-8/h3-5,8H,1-2,6-7H2,(H,17,19).
What are the key properties of 5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one?
5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one has a molecular weight of 292.73 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one is sourced from PubChem (CID 118468507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).