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

C19H12F5N3O2 — CID 11517103

IUPAC6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2cc(F)cc(-c3cccc(F)c3C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H12F5N3O2/c1-27-8-14(17(25)28)26-16(18(27)29)10-5-9(6-11(20)7-10)12-3-2-4-13(21)15(12)19(22,23)24/h2-8H,1H3,(H2,25,28)
InChIKeyIXRITMVSJWBMQB-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.51
Rot. Bonds3

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

6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide (PubChem CID 11517103) has the molecular formula C19H12F5N3O2 and a molecular weight of 409.31 g/mol. Its IUPAC name is 6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
PubChem CID11517103
Molecular FormulaC19H12F5N3O2
Molecular Weight409.31 g/mol
Exact Mass409.08
IUPAC Name6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2cc(F)cc(-c3cccc(F)c3C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H12F5N3O2/c1-27-8-14(17(25)28)26-16(18(27)29)10-5-9(6-11(20)7-10)12-3-2-4-13(21)15(12)19(22,23)24/h2-8H,1H3,(H2,25,28)
InChIKeyIXRITMVSJWBMQB-UHFFFAOYSA-N
XLogP3.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
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-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
The IUPAC name of 6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide (CID 11517103) is 6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide.
What is the SMILES notation for 6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
The canonical SMILES for 6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide is Cn1cc(C(N)=O)nc(-c2cc(F)cc(-c3cccc(F)c3C(F)(F)F)c2)c1=O.
What is the InChIKey of 6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
The InChIKey is IXRITMVSJWBMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O2/c1-27-8-14(17(25)28)26-16(18(27)29)10-5-9(6-11(20)7-10)12-3-2-4-13(21)15(12)19(22,23)24/h2-8H,1H3,(H2,25,28).
What are the key properties of 6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide has a molecular weight of 409.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide is sourced from PubChem (CID 11517103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).