6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide

C20H15F4N3O3 — CID 11690315

IUPAC6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2cc(-c3ccccc3OCC(F)(F)F)ccc2F)c1=O
InChIInChI=1S/C20H15F4N3O3/c1-27-9-15(18(25)28)26-17(19(27)29)13-8-11(6-7-14(13)21)12-4-2-3-5-16(12)30-10-20(22,23)24/h2-9H,10H2,1H3,(H2,25,28)
InChIKeyNKGVNKOAPIGWSV-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.29
Rot. Bonds5

About 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide

6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide (PubChem CID 11690315) has the molecular formula C20H15F4N3O3 and a molecular weight of 421.35 g/mol. Its IUPAC name is 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
PubChem CID11690315
Molecular FormulaC20H15F4N3O3
Molecular Weight421.35 g/mol
Exact Mass421.10
IUPAC Name6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2cc(-c3ccccc3OCC(F)(F)F)ccc2F)c1=O
InChIInChI=1S/C20H15F4N3O3/c1-27-9-15(18(25)28)26-17(19(27)29)13-8-11(6-7-14(13)21)12-4-2-3-5-16(12)30-10-20(22,23)24/h2-9H,10H2,1H3,(H2,25,28)
InChIKeyNKGVNKOAPIGWSV-UHFFFAOYSA-N
XLogP3.29
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11719762
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11518188
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
CID 11696778
3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608415
1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
CID 86122224
1-[4-fluoro-3-[2-(3,3,3-trifluoropropoxy)phenyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 162580171
5-[4-fluoro-3-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-1-methyl-1,2,4-triazole-3-carboxamide;5-[4-fluoro-3-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-2-methyl-1,2,4-triazole-3-carboxamide;5-[4-fluoro-3-[2-(trifluoromethoxy)phenyl]phenyl]-1-methyl-1,2,4-triazole-3-carboxamide;5-[4-fluoro-3-[2-(trifluoromethoxy)phenyl]phenyl]-2-methyl-1,2,4-triazole-3-carboxamide;3-[2-fluoro-5-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[4-fluoro-3-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-[5-fluoro-2-(trifluoromethyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 160580796
4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 141118952
1-oxo-4-[2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
CID 155595340
1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
CID 11302890
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
2-methyl-4-[5-(methylsulfinylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]isoquinolin-1-one
CID 134311454

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
The IUPAC name of 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide (CID 11690315) is 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
The canonical SMILES for 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide is Cn1cc(C(N)=O)nc(-c2cc(-c3ccccc3OCC(F)(F)F)ccc2F)c1=O.
What is the InChIKey of 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
The InChIKey is NKGVNKOAPIGWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O3/c1-27-9-15(18(25)28)26-17(19(27)29)13-8-11(6-7-14(13)21)12-4-2-3-5-16(12)30-10-20(22,23)24/h2-9H,10H2,1H3,(H2,25,28).
What are the key properties of 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-5-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide is sourced from PubChem (CID 11690315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).