1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one

C7H7N3OS2 — CID 149126785

IUPAC1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCSSn1c(=O)[nH]c2ncccc21
InChIInChI=1S/C7H7N3OS2/c1-12-13-10-5-3-2-4-8-6(5)9-7(10)11/h2-4H,1H3,(H,8,9,11)
InChIKeyRBAYYHNHEOJBAJ-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.50
Rot. Bonds2

About 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one

1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 149126785) has the molecular formula C7H7N3OS2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID149126785
Molecular FormulaC7H7N3OS2
Molecular Weight213.29 g/mol
Exact Mass213.00
IUPAC Name1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCSSn1c(=O)[nH]c2ncccc21
InChIInChI=1S/C7H7N3OS2/c1-12-13-10-5-3-2-4-8-6(5)9-7(10)11/h2-4H,1H3,(H,8,9,11)
InChIKeyRBAYYHNHEOJBAJ-UHFFFAOYSA-N
XLogP1.50
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
CID 141325245
1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 154242312
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
1-(3-hydroxycyclobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 175822352
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 163602152
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216
1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 170742162
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 83290800
3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 848491
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299

Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 149126785) is 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one is CSSn1c(=O)[nH]c2ncccc21.
What is the InChIKey of 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is RBAYYHNHEOJBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS2/c1-12-13-10-5-3-2-4-8-6(5)9-7(10)11/h2-4H,1H3,(H,8,9,11).
What are the key properties of 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one?
1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 213.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 149126785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).