6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile

C26H20N4O2S — CID 118421548

IUPAC6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(=O)n(C)c2COC(c2ccc(C#N)cc2)c2cncs2)cc1
InChIInChI=1S/C26H20N4O2S/c1-17-3-7-19(8-4-17)22-11-21(13-28)26(31)30(2)23(22)15-32-25(24-14-29-16-33-24)20-9-5-18(12-27)6-10-20/h3-11,14,16,25H,15H2,1-2H3
InChIKeyVEPKVCPROGLYAR-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.87
Rot. Bonds6

About 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile

6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 118421548) has the molecular formula C26H20N4O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID118421548
Molecular FormulaC26H20N4O2S
Molecular Weight452.54 g/mol
Exact Mass452.13
IUPAC Name6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(=O)n(C)c2COC(c2ccc(C#N)cc2)c2cncs2)cc1
InChIInChI=1S/C26H20N4O2S/c1-17-3-7-19(8-4-17)22-11-21(13-28)26(31)30(2)23(22)15-32-25(24-14-29-16-33-24)20-9-5-18(12-27)6-10-20/h3-11,14,16,25H,15H2,1-2H3
InChIKeyVEPKVCPROGLYAR-UHFFFAOYSA-N
XLogP4.87
TPSA91.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile 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-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile (CID 118421548) is 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile is Cc1ccc(-c2cc(C#N)c(=O)n(C)c2COC(c2ccc(C#N)cc2)c2cncs2)cc1.
What is the InChIKey of 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is VEPKVCPROGLYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2S/c1-17-3-7-19(8-4-17)22-11-21(13-28)26(31)30(2)23(22)15-32-25(24-14-29-16-33-24)20-9-5-18(12-27)6-10-20/h3-11,14,16,25H,15H2,1-2H3.
What are the key properties of 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 452.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-cyanophenyl)-(1,3-thiazol-5-yl)methoxy]methyl]-1-methyl-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 118421548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).