1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one

C46H37F9N8O3 — CID 158955645

IUPAC1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one
SMILESCN1C(=O)CNc2nc(-c3cccc(C(F)(F)F)c3)ccc21.CN1CC(=O)N(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21.O=C1CNc2nc(-c3cccc(C(F)(F)F)c3)ccc2C1
InChIInChI=1S/C16H14F3N3O.C15H12F3N3O.C15H11F3N2O/c1-21-9-14(23)22(2)13-7-6-12(20-15(13)21)10-4-3-5-11(8-10)16(17,18)19;1-21-12-6-5-11(20-14(12)19-8-13(21)22)9-3-2-4-10(7-9)15(16,17)18;16-15(17,18)11-3-1-2-9(6-11)13-5-4-10-7-12(21)8-19-14(10)20-13/h3-8H,9H2,1-2H3;2-7H,8H2,1H3,(H,19,20);1-6H,7-8H2,(H,19,20)
InChIKeyJLYXPAUBYCMZHT-UHFFFAOYSA-N
MW920.84 g/mol
LogP9.64
Rot. Bonds3

About 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one

1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one (PubChem CID 158955645) has the molecular formula C46H37F9N8O3 and a molecular weight of 920.84 g/mol. Its IUPAC name is 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one.

Molecular Properties

Compound Name1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one
PubChem CID158955645
Molecular FormulaC46H37F9N8O3
Molecular Weight920.84 g/mol
Exact Mass920.28
IUPAC Name1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one
SMILESCN1C(=O)CNc2nc(-c3cccc(C(F)(F)F)c3)ccc21.CN1CC(=O)N(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21.O=C1CNc2nc(-c3cccc(C(F)(F)F)c3)ccc2C1
InChIInChI=1S/C16H14F3N3O.C15H12F3N3O.C15H11F3N2O/c1-21-9-14(23)22(2)13-7-6-12(20-15(13)21)10-4-3-5-11(8-10)16(17,18)19;1-21-12-6-5-11(20-14(12)19-8-13(21)22)9-3-2-4-10(7-9)15(16,17)18;16-15(17,18)11-3-1-2-9(6-11)13-5-4-10-7-12(21)8-19-14(10)20-13/h3-8H,9H2,1-2H3;2-7H,8H2,1H3,(H,19,20);1-6H,7-8H2,(H,19,20)
InChIKeyJLYXPAUBYCMZHT-UHFFFAOYSA-N
XLogP9.64
TPSA123.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.84
LogP ≤ 59.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one?
The IUPAC name of 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one (CID 158955645) is 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one.
What is the SMILES notation for 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one?
The canonical SMILES for 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one is CN1C(=O)CNc2nc(-c3cccc(C(F)(F)F)c3)ccc21.CN1CC(=O)N(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21.O=C1CNc2nc(-c3cccc(C(F)(F)F)c3)ccc2C1.
What is the InChIKey of 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one?
The InChIKey is JLYXPAUBYCMZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O.C15H12F3N3O.C15H11F3N2O/c1-21-9-14(23)22(2)13-7-6-12(20-15(13)21)10-4-3-5-11(8-10)16(17,18)19;1-21-12-6-5-11(20-14(12)19-8-13(21)22)9-3-2-4-10(7-9)15(16,17)18;16-15(17,18)11-3-1-2-9(6-11)13-5-4-10-7-12(21)8-19-14(10)20-13/h3-8H,9H2,1-2H3;2-7H,8H2,1H3,(H,19,20);1-6H,7-8H2,(H,19,20).
What are the key properties of 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one?
1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one has a molecular weight of 920.84 g/mol, XLogP of 9.64, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-2-one;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one;7-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-1,8-naphthyridin-3-one is sourced from PubChem (CID 158955645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).