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

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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).