3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one

C17H16F2N6O — CID 171358910

IUPAC3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC[C@H](Nc2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C17H16F2N6O/c18-11-6-13-14(7-12(11)19)24-15(8-22-13)23-10-2-1-5-25(9-10)16-17(26)21-4-3-20-16/h3-4,6-8,10H,1-2,5,9H2,(H,21,26)(H,23,24)/t10-/m0/s1
InChIKeyUIVDZYLYUDEFCV-JTQLQIEISA-N
MW358.35 g/mol
LogP2.07
Rot. Bonds3

About 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one

3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 171358910) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID171358910
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC[C@H](Nc2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C17H16F2N6O/c18-11-6-13-14(7-12(11)19)24-15(8-22-13)23-10-2-1-5-25(9-10)16-17(26)21-4-3-20-16/h3-4,6-8,10H,1-2,5,9H2,(H,21,26)(H,23,24)/t10-/m0/s1
InChIKeyUIVDZYLYUDEFCV-JTQLQIEISA-N
XLogP2.07
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473564
5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129473562
3-[(3S)-3-(4-chloro-2-nitroanilino)piperidin-1-yl]-1H-pyrazin-2-one
CID 125138336
N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide
CID 129330963
6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 67578682
3-[3-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 128998768
3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473298
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyrimidine-5-carbonitrile
CID 129473642
3-amino-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 129476469
3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129007063
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one (CID 171358910) is 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCC[C@H](Nc2cnc3cc(F)c(F)cc3n2)C1.
What is the InChIKey of 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is UIVDZYLYUDEFCV-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16F2N6O/c18-11-6-13-14(7-12(11)19)24-15(8-22-13)23-10-2-1-5-25(9-10)16-17(26)21-4-3-20-16/h3-4,6-8,10H,1-2,5,9H2,(H,21,26)(H,23,24)/t10-/m0/s1.
What are the key properties of 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 358.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 171358910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).