5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one

C16H17N3OS — CID 67561559

IUPAC5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one
SMILESCCn1c(SC)nc2ccn(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C16H17N3OS/c1-3-19-14-13(17-16(19)21-2)9-10-18(15(14)20)11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
InChIKeySFWCWTKAJKYIAM-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.99
Rot. Bonds4

About 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one

5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one (PubChem CID 67561559) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one
PubChem CID67561559
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one
SMILESCCn1c(SC)nc2ccn(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C16H17N3OS/c1-3-19-14-13(17-16(19)21-2)9-10-18(15(14)20)11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
InChIKeySFWCWTKAJKYIAM-UHFFFAOYSA-N
XLogP2.99
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-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

7-benzyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 628923
3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one
CID 19349858
1-benzyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one
CID 1477027
5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane
CID 143328515
2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid
CID 94075132
1-benzyl-3,7-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 153298149
7-benzyl-2-chloro-1-ethylpurin-6-one
CID 23403639
2-benzyl-7-tert-butylisoquinolin-1-one
CID 177299372
2-[4-[[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]benzonitrile
CID 10348085
3-ethyl-5-methyl-2-methylsulfanyl-6-(phenylsulfanylmethyl)pyrimidin-4-one
CID 139705364
3-benzyl-2-methylsulfanyl-5-nitrosoimidazol-4-ol
CID 2726687
1-benzyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 145412381

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one (CID 67561559) is 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one is CCn1c(SC)nc2ccn(Cc3ccccc3)c(=O)c21.
What is the InChIKey of 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one?
The InChIKey is SFWCWTKAJKYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-19-14-13(17-16(19)21-2)9-10-18(15(14)20)11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3.
What are the key properties of 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one?
5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one has a molecular weight of 299.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 67561559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).