5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide

C22H23F3N6O2 — CID 169110461

IUPAC5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(C(C)c3cc(F)c4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1
InChIInChI=1S/C22H23F3N6O2/c1-11-21(32)29-19-17(24)13(10-14(23)18(19)27-11)12(2)30-6-8-31(9-7-30)16-5-4-15(22(33)26-3)28-20(16)25/h4-5,10,12H,6-9H2,1-3H3,(H,26,33)(H,29,32)
InChIKeyCJYXHIFOKJJIKL-UHFFFAOYSA-N
MW460.46 g/mol
LogP2.29
Rot. Bonds4

About 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide

5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 169110461) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID169110461
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(C(C)c3cc(F)c4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1
InChIInChI=1S/C22H23F3N6O2/c1-11-21(32)29-19-17(24)13(10-14(23)18(19)27-11)12(2)30-6-8-31(9-7-30)16-5-4-15(22(33)26-3)28-20(16)25/h4-5,10,12H,6-9H2,1-3H3,(H,26,33)(H,29,32)
InChIKeyCJYXHIFOKJJIKL-UHFFFAOYSA-N
XLogP2.29
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110755
6-fluoro-5-[4-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463
6-fluoro-N-methyl-5-[4-[(2-methyl-3-oxo-8-pyridin-4-yloxy-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176689322
ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 168900115
6-fluoro-5-[4-[(6-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982748
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497
5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560356
6-fluoro-5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964503
6-fluoro-5-[4-[(6-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560205
N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane
CID 169110865
6-fluoro-N-methyl-5-[4-[(6-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572839

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (CID 169110461) is 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(C(C)c3cc(F)c4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1.
What is the InChIKey of 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is CJYXHIFOKJJIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-11-21(32)29-19-17(24)13(10-14(23)18(19)27-11)12(2)30-6-8-31(9-7-30)16-5-4-15(22(33)26-3)28-20(16)25/h4-5,10,12H,6-9H2,1-3H3,(H,26,33)(H,29,32).
What are the key properties of 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169110461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).