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

C19H12BrF4N3O2 — CID 11496476

IUPAC6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2ccc(F)c(-c3cc(Br)ccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H12BrF4N3O2/c1-27-8-15(17(25)28)26-16(18(27)29)9-2-5-14(21)12(6-9)11-7-10(20)3-4-13(11)19(22,23)24/h2-8H,1H3,(H2,25,28)
InChIKeyBPRFDSBLZKKELR-UHFFFAOYSA-N
MW470.22 g/mol
LogP4.13
Rot. Bonds3

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

6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide (PubChem CID 11496476) has the molecular formula C19H12BrF4N3O2 and a molecular weight of 470.22 g/mol. Its IUPAC name is 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide
PubChem CID11496476
Molecular FormulaC19H12BrF4N3O2
Molecular Weight470.22 g/mol
Exact Mass469.00
IUPAC Name6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2ccc(F)c(-c3cc(Br)ccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H12BrF4N3O2/c1-27-8-15(17(25)28)26-16(18(27)29)9-2-5-14(21)12(6-9)11-7-10(20)3-4-13(11)19(22,23)24/h2-8H,1H3,(H2,25,28)
InChIKeyBPRFDSBLZKKELR-UHFFFAOYSA-N
XLogP4.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.22
LogP ≤ 54.13
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
6-[3-[2-Fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide
CID 59842438
6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
CID 143119996
6-[2-Fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11495204
4-(2-Amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 11496153
6-[3-[4-Fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11502018
5-Oxo-4-propan-2-yl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11502230
methyl 5-[4-bromo-3-[2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxylate
CID 11503374
4-Ethyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11509298
5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 11516756
6-[3-Fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11517103
4-Cyano-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11523829

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
The IUPAC name of 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide (CID 11496476) is 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide.
What is the SMILES notation for 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
The canonical SMILES for 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide is Cn1cc(C(N)=O)nc(-c2ccc(F)c(-c3cc(Br)ccc3C(F)(F)F)c2)c1=O.
What is the InChIKey of 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
The InChIKey is BPRFDSBLZKKELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF4N3O2/c1-27-8-15(17(25)28)26-16(18(27)29)9-2-5-14(21)12(6-9)11-7-10(20)3-4-13(11)19(22,23)24/h2-8H,1H3,(H2,25,28).
What are the key properties of 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide?
6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide has a molecular weight of 470.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide is sourced from PubChem (CID 11496476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).