7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione

C12H13FN4O2 — CID 169094250

IUPAC7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(F)cnc2n(C2CCNCC2)c1=O
InChIInChI=1S/C12H13FN4O2/c13-7-5-9-10(15-6-7)17(12(19)11(18)16-9)8-1-3-14-4-2-8/h5-6,8,14H,1-4H2,(H,16,18)
InChIKeyDTODLDJXZULUDN-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.15
Rot. Bonds1

About 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione

7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 169094250) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID169094250
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(F)cnc2n(C2CCNCC2)c1=O
InChIInChI=1S/C12H13FN4O2/c13-7-5-9-10(15-6-7)17(12(19)11(18)16-9)8-1-3-14-4-2-8/h5-6,8,14H,1-4H2,(H,16,18)
InChIKeyDTODLDJXZULUDN-UHFFFAOYSA-N
XLogP0.15
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione 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 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione (CID 169094250) is 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cc(F)cnc2n(C2CCNCC2)c1=O.
What is the InChIKey of 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is DTODLDJXZULUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-7-5-9-10(15-6-7)17(12(19)11(18)16-9)8-1-3-14-4-2-8/h5-6,8,14H,1-4H2,(H,16,18).
What are the key properties of 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione?
7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 264.26 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 169094250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).