3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C12H13N5S — CID 114251189

IUPAC3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCn1ccc(-n2c(=S)[nH]c3cc(C)cnc32)n1
InChIInChI=1S/C12H13N5S/c1-3-16-5-4-10(15-16)17-11-9(14-12(17)18)6-8(2)7-13-11/h4-7H,3H2,1-2H3,(H,14,18)
InChIKeySBWWIGOZTXIPLR-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.61
Rot. Bonds2

About 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 114251189) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID114251189
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCn1ccc(-n2c(=S)[nH]c3cc(C)cnc32)n1
InChIInChI=1S/C12H13N5S/c1-3-16-5-4-10(15-16)17-11-9(14-12(17)18)6-8(2)7-13-11/h4-7H,3H2,1-2H3,(H,14,18)
InChIKeySBWWIGOZTXIPLR-UHFFFAOYSA-N
XLogP2.61
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione 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-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293910
6-chloro-3-(1-ethylpyrazol-3-yl)-1H-benzimidazole-2-thione
CID 114251188
3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293249
3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293181
3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293547
3-(3,5-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79280153
3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301383
3-(2-bromo-5-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 82757262
6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293038
3-(2,5-difluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79294055
3-(3-bromo-5-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107584342
3-(2-chloro-4-iodophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107607187

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 114251189) is 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is CCn1ccc(-n2c(=S)[nH]c3cc(C)cnc32)n1.
What is the InChIKey of 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is SBWWIGOZTXIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-3-16-5-4-10(15-16)17-11-9(14-12(17)18)6-8(2)7-13-11/h4-7H,3H2,1-2H3,(H,14,18).
What are the key properties of 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 259.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 114251189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).