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

C22H25FN6O2 — CID 162524426

IUPAC5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4C)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C22H25FN6O2/c1-3-15-22(31)27-20-16(26-15)5-4-14(19(20)23)12-28-8-10-29(11-9-28)18-7-6-17(21(24)30)25-13(18)2/h4-7H,3,8-12H2,1-2H3,(H2,24,30)(H,27,31)
InChIKeyCQXOVDCKJWOSRL-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.75
Rot. Bonds5

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

5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 162524426) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
PubChem CID162524426
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4C)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C22H25FN6O2/c1-3-15-22(31)27-20-16(26-15)5-4-14(19(20)23)12-28-8-10-29(11-9-28)18-7-6-17(21(24)30)25-13(18)2/h4-7H,3,8-12H2,1-2H3,(H2,24,30)(H,27,31)
InChIKeyCQXOVDCKJWOSRL-UHFFFAOYSA-N
XLogP1.75
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (CID 162524426) is 5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is CCc1nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4C)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of 5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is CQXOVDCKJWOSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-3-15-22(31)27-20-16(26-15)5-4-14(19(20)23)12-28-8-10-29(11-9-28)18-7-6-17(21(24)30)25-13(18)2/h4-7H,3,8-12H2,1-2H3,(H2,24,30)(H,27,31).
What are the key properties of 5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 1.75, 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-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 162524426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).