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

C26H26FN7O3 — CID 176689322

IUPAC6-fluoro-N-methyl-5-[4-[(2-methyl-3-oxo-8-pyridin-4-yloxy-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc(Oc4ccncc4)c4nc(C)c(=O)[nH]c4c3)CC2)c(F)n1
InChIInChI=1S/C26H26FN7O3/c1-16-25(35)32-20-13-17(14-22(23(20)30-16)37-18-5-7-29-8-6-18)15-33-9-11-34(12-10-33)21-4-3-19(26(36)28-2)31-24(21)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,36)(H,32,35)
InChIKeyRONGWXGALYFXTP-UHFFFAOYSA-N
MW503.54 g/mol
LogP2.63
Rot. Bonds6

About 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

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 (PubChem CID 176689322) has the molecular formula C26H26FN7O3 and a molecular weight of 503.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-fluoro-N-methyl-5-[4-[(2-methyl-3-oxo-8-pyridin-4-yloxy-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176689322
Molecular FormulaC26H26FN7O3
Molecular Weight503.54 g/mol
Exact Mass503.21
IUPAC Name6-fluoro-N-methyl-5-[4-[(2-methyl-3-oxo-8-pyridin-4-yloxy-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc(Oc4ccncc4)c4nc(C)c(=O)[nH]c4c3)CC2)c(F)n1
InChIInChI=1S/C26H26FN7O3/c1-16-25(35)32-20-13-17(14-22(23(20)30-16)37-18-5-7-29-8-6-18)15-33-9-11-34(12-10-33)21-4-3-19(26(36)28-2)31-24(21)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,36)(H,32,35)
InChIKeyRONGWXGALYFXTP-UHFFFAOYSA-N
XLogP2.63
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 171812238
6-fluoro-5-[4-[(9-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982808
6-fluoro-5-[4-[(9-fluoro-4-oxo-5H-furo[2,3-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572859
5-[4-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 155586983
6-fluoro-N-methyl-5-[4-[[3-oxo-2-(trifluoromethyl)-4H-quinoxalin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 155586945
6-fluoro-N-methyl-5-[4-[(4-oxo-5H-[1,2]oxazolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560054
5-[4-[(3-ethyl-5-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169102592
5-[4-[(2-chloro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 171572813
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-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 178131753
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463
N,6-dimethyl-5-[4-[(6-oxo-7,9-dihydro-5H-furo[3,4-c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572872

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1ccc(N2CCN(Cc3cc(Oc4ccncc4)c4nc(C)c(=O)[nH]c4c3)CC2)c(F)n1.
What is the InChIKey of 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?
The InChIKey is RONGWXGALYFXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3/c1-16-25(35)32-20-13-17(14-22(23(20)30-16)37-18-5-7-29-8-6-18)15-33-9-11-34(12-10-33)21-4-3-19(26(36)28-2)31-24(21)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,36)(H,32,35).
What are the key properties of 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?
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 has a molecular weight of 503.54 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176689322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).