7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride

C13H17Cl2FN4O2 — CID 169081128

IUPAC7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
SMILESCl.Cl.Cn1c(=O)c(=O)n(C2CCNCC2)c2ncc(F)cc21
InChIInChI=1S/C13H15FN4O2.2ClH/c1-17-10-6-8(14)7-16-11(10)18(13(20)12(17)19)9-2-4-15-5-3-9;;/h6-7,9,15H,2-5H2,1H3;2*1H
InChIKeyKMGZGHANIKRRAK-UHFFFAOYSA-N
MW351.21 g/mol
LogP1.00
Rot. Bonds1

About 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride

7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride (PubChem CID 169081128) has the molecular formula C13H17Cl2FN4O2 and a molecular weight of 351.21 g/mol. Its IUPAC name is 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride.

Molecular Properties

Compound Name7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
PubChem CID169081128
Molecular FormulaC13H17Cl2FN4O2
Molecular Weight351.21 g/mol
Exact Mass350.07
IUPAC Name7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
SMILESCl.Cl.Cn1c(=O)c(=O)n(C2CCNCC2)c2ncc(F)cc21
InChIInChI=1S/C13H15FN4O2.2ClH/c1-17-10-6-8(14)7-16-11(10)18(13(20)12(17)19)9-2-4-15-5-3-9;;/h6-7,9,15H,2-5H2,1H3;2*1H
InChIKeyKMGZGHANIKRRAK-UHFFFAOYSA-N
XLogP1.00
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
CID 170238575
7-fluoro-4-piperidin-4-yl-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 169094250
4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381835
4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344612
7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 175956793
7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347633
7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347525
7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
CID 169081133
8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione
CID 154640809
1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
CID 82465740
1-(3,4-difluorophenyl)-6-fluoro-3-[(3S)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 69227192
2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 170344673

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride?
The IUPAC name of 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride (CID 169081128) is 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride.
What is the SMILES notation for 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride?
The canonical SMILES for 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride is Cl.Cl.Cn1c(=O)c(=O)n(C2CCNCC2)c2ncc(F)cc21.
What is the InChIKey of 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride?
The InChIKey is KMGZGHANIKRRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2.2ClH/c1-17-10-6-8(14)7-16-11(10)18(13(20)12(17)19)9-2-4-15-5-3-9;;/h6-7,9,15H,2-5H2,1H3;2*1H.
What are the key properties of 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride?
7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride has a molecular weight of 351.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride is sourced from PubChem (CID 169081128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).