5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

C23H15F3N4O5 — CID 78319871

IUPAC5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C23H15F3N4O5/c24-23(25,26)12-34-14-6-8-15(9-7-14)35-21-19(29-16-3-1-2-4-17(16)30-21)20(31)28-13-5-10-18(22(32)33)27-11-13/h1-11H,12H2,(H,28,31)(H,32,33)
InChIKeyOHRCAHRFJKUSGB-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.71
Rot. Bonds7

About 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid

5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 78319871) has the molecular formula C23H15F3N4O5 and a molecular weight of 484.39 g/mol. Its IUPAC name is 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID78319871
Molecular FormulaC23H15F3N4O5
Molecular Weight484.39 g/mol
Exact Mass484.10
IUPAC Name5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C23H15F3N4O5/c24-23(25,26)12-34-14-6-8-15(9-7-14)35-21-19(29-16-3-1-2-4-17(16)30-21)20(31)28-13-5-10-18(22(32)33)27-11-13/h1-11H,12H2,(H,28,31)(H,32,33)
InChIKeyOHRCAHRFJKUSGB-UHFFFAOYSA-N
XLogP4.71
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319394
5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319873
N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 150985773
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 118375976
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
N-(6-acetyl-3-pyridinyl)-3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-(4-chloro-2-methylphenoxy)quinoxaline-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 158985941
2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62788038
5-[(3-aminopyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104742707

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 78319871) is 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OCC(F)(F)F)cc2)cn1.
What is the InChIKey of 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is OHRCAHRFJKUSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O5/c24-23(25,26)12-34-14-6-8-15(9-7-14)35-21-19(29-16-3-1-2-4-17(16)30-21)20(31)28-13-5-10-18(22(32)33)27-11-13/h1-11H,12H2,(H,28,31)(H,32,33).
What are the key properties of 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid?
5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 484.39 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 78319871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).