3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine

C23H14F3N3O — CID 142692313

IUPAC3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine
SMILESFC(F)(F)c1cccc(COc2nc3cccnc3nc2C#Cc2ccccc2)c1
InChIInChI=1S/C23H14F3N3O/c24-23(25,26)18-9-4-8-17(14-18)15-30-22-20(12-11-16-6-2-1-3-7-16)28-21-19(29-22)10-5-13-27-21/h1-10,13-14H,15H2
InChIKeyGTDLEPIDLPAAPA-UHFFFAOYSA-N
MW405.38 g/mol
LogP5.02
Rot. Bonds3

About 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine

3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine (PubChem CID 142692313) has the molecular formula C23H14F3N3O and a molecular weight of 405.38 g/mol. Its IUPAC name is 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine
PubChem CID142692313
Molecular FormulaC23H14F3N3O
Molecular Weight405.38 g/mol
Exact Mass405.11
IUPAC Name3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine
SMILESFC(F)(F)c1cccc(COc2nc3cccnc3nc2C#Cc2ccccc2)c1
InChIInChI=1S/C23H14F3N3O/c24-23(25,26)18-9-4-8-17(14-18)15-30-22-20(12-11-16-6-2-1-3-7-16)28-21-19(29-22)10-5-13-27-21/h1-10,13-14H,15H2
InChIKeyGTDLEPIDLPAAPA-UHFFFAOYSA-N
XLogP5.02
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline
CID 142692270
3,4-bis(phenylmethoxy)-6-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyridazine
CID 71270335
3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine
CID 142692256
3-[2-[2-[(2S)-2-(dibenzylamino)-3-methylbutoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
CID 142692404
3-[3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylpropan-1-amine
CID 56658174
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
N,N-diethyl-4-[2-[2-[(1-ethyl-2-methyl-4-phenylpyrrol-3-yl)methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline
CID 142692425
3-(2-pyridin-2-ylethoxy)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]thieno[3,4-b]pyrazine
CID 90287381
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile
CID 142692301
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine
CID 71622699

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine?
The IUPAC name of 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine (CID 142692313) is 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine is FC(F)(F)c1cccc(COc2nc3cccnc3nc2C#Cc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine?
The InChIKey is GTDLEPIDLPAAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O/c24-23(25,26)18-9-4-8-17(14-18)15-30-22-20(12-11-16-6-2-1-3-7-16)28-21-19(29-22)10-5-13-27-21/h1-10,13-14H,15H2.
What are the key properties of 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine?
3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine has a molecular weight of 405.38 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 142692313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).