4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide

C20H13F5N4O3 — CID 11496153

IUPAC4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
SMILESNC(=O)Cn1cc(C(N)=O)nc(-c2ccc(F)c(-c3ccc(F)cc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C20H13F5N4O3/c21-10-2-3-11(13(6-10)20(23,24)25)12-5-9(1-4-14(12)22)17-19(32)29(8-16(26)30)7-15(28-17)18(27)31/h1-7H,8H2,(H2,26,30)(H2,27,31)
InChIKeyRFSZGNCENJFERP-UHFFFAOYSA-N
MW452.34 g/mol
LogP2.46
Rot. Bonds5

About 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide

4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide (PubChem CID 11496153) has the molecular formula C20H13F5N4O3 and a molecular weight of 452.34 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
PubChem CID11496153
Molecular FormulaC20H13F5N4O3
Molecular Weight452.34 g/mol
Exact Mass452.09
IUPAC Name4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
SMILESNC(=O)Cn1cc(C(N)=O)nc(-c2ccc(F)c(-c3ccc(F)cc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C20H13F5N4O3/c21-10-2-3-11(13(6-10)20(23,24)25)12-5-9(1-4-14(12)22)17-19(32)29(8-16(26)30)7-15(28-17)18(27)31/h1-7H,8H2,(H2,26,30)(H2,27,31)
InChIKeyRFSZGNCENJFERP-UHFFFAOYSA-N
XLogP2.46
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,6-bis(4-fluorophenyl)phenyl]-N-(1-methyl-2-oxo-3-pyridinyl)acetamide
CID 168330913
4-Methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11545237
4-(1,3-Dihydroxypropan-2-yl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 59842423
5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one
CID 59842424
4-(2,3-Dihydroxypropyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 59842429
6-[3-[2-Fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide
CID 59842438
6-[3-[2-(Difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide
CID 143119993
6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
CID 143119996
6-[3-[2-(Difluoromethyl)-6-fluorophenyl]phenyl]-4-(2,3-dihydroxypropyl)-5-oxopyrazine-2-carboxamide
CID 143119997
6-[2-Fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11495204
4-(2-Amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11495358
6-[3-[5-Bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11496476

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide (CID 11496153) is 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide is NC(=O)Cn1cc(C(N)=O)nc(-c2ccc(F)c(-c3ccc(F)cc3C(F)(F)F)c2)c1=O.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide?
The InChIKey is RFSZGNCENJFERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O3/c21-10-2-3-11(13(6-10)20(23,24)25)12-5-9(1-4-14(12)22)17-19(32)29(8-16(26)30)7-15(28-17)18(27)31/h1-7H,8H2,(H2,26,30)(H2,27,31).
What are the key properties of 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide?
4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide has a molecular weight of 452.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide is sourced from PubChem (CID 11496153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).