5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione

C12H13N5OS — CID 115321867

IUPAC5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(Cc3cnn(C)c3)c2n1
InChIInChI=1S/C12H13N5OS/c1-16-6-8(5-13-16)7-17-11-9(14-12(17)19)3-4-10(15-11)18-2/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyWGZUAILYNAZETC-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.88
Rot. Bonds3

About 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione

5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 115321867) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID115321867
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(Cc3cnn(C)c3)c2n1
InChIInChI=1S/C12H13N5OS/c1-16-6-8(5-13-16)7-17-11-9(14-12(17)19)3-4-10(15-11)18-2/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyWGZUAILYNAZETC-UHFFFAOYSA-N
XLogP1.88
TPSA60.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321637
5-methoxy-3-[(3-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321749
5,6-dimethoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-benzimidazole-2-thione
CID 83006080
5-methoxy-3-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115520833
5-fluoro-3-[(1-methylpyrazol-4-yl)methyl]-1H-benzimidazole-2-thione
CID 62376136
3-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 107850902
4-[(5-methoxy-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]-3H-1,3-thiazol-2-one
CID 106382474
3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 105419282
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115322004
3-[2-(5-methoxy-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl]-1,1-dimethylurea
CID 83115096
5-methoxy-3-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 113286823
5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 104963464

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 115321867) is 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc2[nH]c(=S)n(Cc3cnn(C)c3)c2n1.
What is the InChIKey of 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is WGZUAILYNAZETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-16-6-8(5-13-16)7-17-11-9(14-12(17)19)3-4-10(15-11)18-2/h3-6H,7H2,1-2H3,(H,14,19).
What are the key properties of 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 275.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 115321867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).