3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one

C25H19N3OS — CID 137276811

IUPAC3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)cc(-c3cccs3)[nH]c2=O)nn1-c1ccccc1
InChIInChI=1S/C25H19N3OS/c1-17-15-22(27-28(17)19-11-6-3-7-12-19)24-20(18-9-4-2-5-10-18)16-21(26-25(24)29)23-13-8-14-30-23/h2-16H,1H3,(H,26,29)
InChIKeyMXPAFGDXOBXBGL-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.93
Rot. Bonds4

About 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one

3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one (PubChem CID 137276811) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one
PubChem CID137276811
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC Name3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)cc(-c3cccs3)[nH]c2=O)nn1-c1ccccc1
InChIInChI=1S/C25H19N3OS/c1-17-15-22(27-28(17)19-11-6-3-7-12-19)24-20(18-9-4-2-5-10-18)16-21(26-25(24)29)23-13-8-14-30-23/h2-16H,1H3,(H,26,29)
InChIKeyMXPAFGDXOBXBGL-UHFFFAOYSA-N
XLogP5.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767882
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 146048213
4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
CID 12964793
4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 139229492
5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 142730761
2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
CID 14000355
2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137222940
3-oxobutan-2-yl 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503779
3-(4-nitrophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
CID 102358360
6,11-dimethyl-4-phenyl-8-thiophen-2-yl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraene-10,12-dione
CID 135859946
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one (CID 137276811) is 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one is Cc1cc(-c2c(-c3ccccc3)cc(-c3cccs3)[nH]c2=O)nn1-c1ccccc1.
What is the InChIKey of 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one?
The InChIKey is MXPAFGDXOBXBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS/c1-17-15-22(27-28(17)19-11-6-3-7-12-19)24-20(18-9-4-2-5-10-18)16-21(26-25(24)29)23-13-8-14-30-23/h2-16H,1H3,(H,26,29).
What are the key properties of 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one?
3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one has a molecular weight of 409.51 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 137276811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).