4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one

C11H12N4OS — CID 106185150

IUPAC4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one
SMILESCc1ccc2[nH]c(=S)n(C3CNC(=O)C3)c2n1
InChIInChI=1S/C11H12N4OS/c1-6-2-3-8-10(13-6)15(11(17)14-8)7-4-9(16)12-5-7/h2-3,7H,4-5H2,1H3,(H,12,16)(H,14,17)
InChIKeyCTVGVCYMFNAUMB-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.46
Rot. Bonds1

About 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one

4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one (PubChem CID 106185150) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one
PubChem CID106185150
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one
SMILESCc1ccc2[nH]c(=S)n(C3CNC(=O)C3)c2n1
InChIInChI=1S/C11H12N4OS/c1-6-2-3-8-10(13-6)15(11(17)14-8)7-4-9(16)12-5-7/h2-3,7H,4-5H2,1H3,(H,12,16)(H,14,17)
InChIKeyCTVGVCYMFNAUMB-UHFFFAOYSA-N
XLogP1.46
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-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

3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138659
3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107850751
3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione
CID 81138605
5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114548243
4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)pyrrolidin-2-one
CID 106185107
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138142
3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
4-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)pyrrolidin-2-one
CID 106185475
5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 81137984
3-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138357
5-methoxy-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321738
3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138518

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one (CID 106185150) is 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one is Cc1ccc2[nH]c(=S)n(C3CNC(=O)C3)c2n1.
What is the InChIKey of 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one?
The InChIKey is CTVGVCYMFNAUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-2-3-8-10(13-6)15(11(17)14-8)7-4-9(16)12-5-7/h2-3,7H,4-5H2,1H3,(H,12,16)(H,14,17).
What are the key properties of 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one?
4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one has a molecular weight of 248.31 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 106185150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).