4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C19H18F3N3O4 — CID 118071713

IUPAC4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCC(C)C(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CC(=O)Nc2cccnc21
InChIInChI=1S/C19H18F3N3O4/c1-11(2)16(28-12-5-7-13(8-6-12)29-19(20,21)22)18(27)25-10-15(26)24-14-4-3-9-23-17(14)25/h3-9,11,16H,10H2,1-2H3,(H,24,26)
InChIKeySCGDJTOVGNFEJS-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.37
Rot. Bonds5

About 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 118071713) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID118071713
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Name4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCC(C)C(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CC(=O)Nc2cccnc21
InChIInChI=1S/C19H18F3N3O4/c1-11(2)16(28-12-5-7-13(8-6-12)29-19(20,21)22)18(27)25-10-15(26)24-14-4-3-9-23-17(14)25/h3-9,11,16H,10H2,1-2H3,(H,24,26)
InChIKeySCGDJTOVGNFEJS-UHFFFAOYSA-N
XLogP3.37
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 118071713) is 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CC(C)C(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CC(=O)Nc2cccnc21.
What is the InChIKey of 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is SCGDJTOVGNFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c1-11(2)16(28-12-5-7-13(8-6-12)29-19(20,21)22)18(27)25-10-15(26)24-14-4-3-9-23-17(14)25/h3-9,11,16H,10H2,1-2H3,(H,24,26).
What are the key properties of 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 409.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 118071713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).