6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid

C21H15F3N4O4 — CID 136962130

IUPAC6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1[nH]c(=O)c(-c2noc(-c3ccccc3)n2)cc1-c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H14N4O2.C2HF3O2/c1-12-15(13-7-9-20-10-8-13)11-16(18(24)21-12)17-22-19(25-23-17)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-11H,1H3,(H,21,24);(H,6,7)
InChIKeyOPTNGRBUVGAVNM-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.10
Rot. Bonds3

About 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid

6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 136962130) has the molecular formula C21H15F3N4O4 and a molecular weight of 444.37 g/mol. Its IUPAC name is 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
PubChem CID136962130
Molecular FormulaC21H15F3N4O4
Molecular Weight444.37 g/mol
Exact Mass444.10
IUPAC Name6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1[nH]c(=O)c(-c2noc(-c3ccccc3)n2)cc1-c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H14N4O2.C2HF3O2/c1-12-15(13-7-9-20-10-8-13)11-16(18(24)21-12)17-22-19(25-23-17)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-11H,1H3,(H,21,24);(H,6,7)
InChIKeyOPTNGRBUVGAVNM-UHFFFAOYSA-N
XLogP4.10
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid (CID 136962130) is 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid is Cc1[nH]c(=O)c(-c2noc(-c3ccccc3)n2)cc1-c1ccncc1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is OPTNGRBUVGAVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2.C2HF3O2/c1-12-15(13-7-9-20-10-8-13)11-16(18(24)21-12)17-22-19(25-23-17)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-11H,1H3,(H,21,24);(H,6,7).
What are the key properties of 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 444.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 136962130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).