6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide

C21H15F4N3O3 — CID 59842438

IUPAC6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide
SMILESCC(=O)Cn1cc(C(N)=O)nc(-c2cccc(-c3c(F)cccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C21H15F4N3O3/c1-11(29)9-28-10-16(19(26)30)27-18(20(28)31)13-5-2-4-12(8-13)17-14(21(23,24)25)6-3-7-15(17)22/h2-8,10H,9H2,1H3,(H2,26,30)
InChIKeyKGMLLPTZBXDSPQ-UHFFFAOYSA-N
MW433.36 g/mol
LogP3.42
Rot. Bonds5

About 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide

6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide (PubChem CID 59842438) has the molecular formula C21H15F4N3O3 and a molecular weight of 433.36 g/mol. Its IUPAC name is 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide
PubChem CID59842438
Molecular FormulaC21H15F4N3O3
Molecular Weight433.36 g/mol
Exact Mass433.10
IUPAC Name6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide
SMILESCC(=O)Cn1cc(C(N)=O)nc(-c2cccc(-c3c(F)cccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C21H15F4N3O3/c1-11(29)9-28-10-16(19(26)30)27-18(20(28)31)13-5-2-4-12(8-13)17-14(21(23,24)25)6-3-7-15(17)22/h2-8,10H,9H2,1H3,(H2,26,30)
InChIKeyKGMLLPTZBXDSPQ-UHFFFAOYSA-N
XLogP3.42
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[2-[4-[N-[(E)-2-aminoprop-1-enyl]-C-ethynylcarbonimidoyl]-3-fluorophenyl]-5-(trifluoromethyl)benzoyl]piperidin-4-one
CID 137395649
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
4-(2-Amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 11496153
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 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide?
The IUPAC name of 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide (CID 59842438) is 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide is CC(=O)Cn1cc(C(N)=O)nc(-c2cccc(-c3c(F)cccc3C(F)(F)F)c2)c1=O.
What is the InChIKey of 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide?
The InChIKey is KGMLLPTZBXDSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O3/c1-11(29)9-28-10-16(19(26)30)27-18(20(28)31)13-5-2-4-12(8-13)17-14(21(23,24)25)6-3-7-15(17)22/h2-8,10H,9H2,1H3,(H2,26,30).
What are the key properties of 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide?
6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide has a molecular weight of 433.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 59842438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).