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

C23H27FN6O2 — CID 162524561

IUPAC5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(C)c2[nH]c1=O
InChIInChI=1S/C23H27FN6O2/c1-4-16-23(32)28-20-14(2)15(5-6-17(20)26-16)13-29-9-11-30(12-10-29)19-8-7-18(22(31)25-3)27-21(19)24/h5-8H,4,9-13H2,1-3H3,(H,25,31)(H,28,32)
InChIKeyFPMCPGNKMIUZGV-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.01
Rot. Bonds5

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

5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 162524561) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID162524561
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC Name5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(C)c2[nH]c1=O
InChIInChI=1S/C23H27FN6O2/c1-4-16-23(32)28-20-14(2)15(5-6-17(20)26-16)13-29-9-11-30(12-10-29)19-8-7-18(22(31)25-3)27-21(19)24/h5-8H,4,9-13H2,1-3H3,(H,25,31)(H,28,32)
InChIKeyFPMCPGNKMIUZGV-UHFFFAOYSA-N
XLogP2.01
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (CID 162524561) is 5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(C)c2[nH]c1=O.
What is the InChIKey of 5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is FPMCPGNKMIUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-4-16-23(32)28-20-14(2)15(5-6-17(20)26-16)13-29-9-11-30(12-10-29)19-8-7-18(22(31)25-3)27-21(19)24/h5-8H,4,9-13H2,1-3H3,(H,25,31)(H,28,32).
What are the key properties of 5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-ethyl-5-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 162524561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).