4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione

C15H17ClN4O2 — CID 163381835

IUPAC4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CC3CCC(C2)N3)c2ncc(Cl)cc21
InChIInChI=1S/C15H17ClN4O2/c1-19-12-4-8(16)7-17-13(12)20(15(22)14(19)21)11-5-9-2-3-10(6-11)18-9/h4,7,9-11,18H,2-3,5-6H2,1H3
InChIKeyLDMWICAYGCZMMA-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.20
Rot. Bonds1

About 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione

4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 163381835) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
PubChem CID163381835
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CC3CCC(C2)N3)c2ncc(Cl)cc21
InChIInChI=1S/C15H17ClN4O2/c1-19-12-4-8(16)7-17-13(12)20(15(22)14(19)21)11-5-9-2-3-10(6-11)18-9/h4,7,9-11,18H,2-3,5-6H2,1H3
InChIKeyLDMWICAYGCZMMA-UHFFFAOYSA-N
XLogP1.20
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.20
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

7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
CID 169081133
7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347525
7-chloro-4-[1-(5-chloropyrimidine-2-carbonyl)piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170347633
(2R,5S)-4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-2,5-dimethylpiperidine-1-carboxylic acid
CID 170347554
2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 170344673
7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344718
4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
CID 170347486
7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
CID 169081128
7-chloro-4-[1-[5-[(2,4-dimethylpiperazin-1-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344609
4-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methylamino]benzonitrile
CID 170344626
1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
CID 170238575
7-chloro-4-[1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381764

Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione (CID 163381835) is 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione is Cn1c(=O)c(=O)n(C2CC3CCC(C2)N3)c2ncc(Cl)cc21.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is LDMWICAYGCZMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-19-12-4-8(16)7-17-13(12)20(15(22)14(19)21)11-5-9-2-3-10(6-11)18-9/h4,7,9-11,18H,2-3,5-6H2,1H3.
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 320.78 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 163381835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).