1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one

C18H20N4OS — CID 129070268

IUPAC1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(SN4CCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C18H20N4OS/c1-13-9-15(11-20(2)18(13)23)14-5-6-16-19-10-17(22(16)12-14)24-21-7-3-4-8-21/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyOXOFRMSQPFOXLX-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.11
Rot. Bonds3

About 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one

1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (PubChem CID 129070268) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
PubChem CID129070268
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(SN4CCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C18H20N4OS/c1-13-9-15(11-20(2)18(13)23)14-5-6-16-19-10-17(22(16)12-14)24-21-7-3-4-8-21/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyOXOFRMSQPFOXLX-UHFFFAOYSA-N
XLogP3.11
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (CID 129070268) is 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is Cc1cc(-c2ccc3ncc(SN4CCCC4)n3c2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The InChIKey is OXOFRMSQPFOXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-9-15(11-20(2)18(13)23)14-5-6-16-19-10-17(22(16)12-14)24-21-7-3-4-8-21/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one has a molecular weight of 340.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is sourced from PubChem (CID 129070268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).