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

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Related Compounds

7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
CID 169081128
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
CID 170238575
9-piperidin-4-yl-1,7-dihydropurine-6,8-dione
CID 136612257
1-(3,4-difluorophenyl)-6-fluoro-3-[(3S)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 69227192
6-fluoro-3-[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 141196679
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
3-cyclopentyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293834
6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 175576452
3-(1,1-dioxothian-4-yl)-7-fluoro-1H-quinazoline-2,4-dione
CID 117261520
1-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one;hydrobromide
CID 122236400
5-fluoro-3-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazol-2-one;hydrochloride
CID 172968627

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).