2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione

C17H20N4O3S2 — CID 137403349

IUPAC2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione
SMILESCCS(=O)(=O)c1cc(OC(C)C)cnc1-c1nc2cc(=S)[nH]cc2n1C
InChIInChI=1S/C17H20N4O3S2/c1-5-26(22,23)14-6-11(24-10(2)3)8-19-16(14)17-20-12-7-15(25)18-9-13(12)21(17)4/h6-10H,5H2,1-4H3,(H,18,25)
InChIKeyHGPDFXWGCSXPSI-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.27
Rot. Bonds5

About 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione

2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione (PubChem CID 137403349) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione
PubChem CID137403349
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC Name2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione
SMILESCCS(=O)(=O)c1cc(OC(C)C)cnc1-c1nc2cc(=S)[nH]cc2n1C
InChIInChI=1S/C17H20N4O3S2/c1-5-26(22,23)14-6-11(24-10(2)3)8-19-16(14)17-20-12-7-15(25)18-9-13(12)21(17)4/h6-10H,5H2,1-4H3,(H,18,25)
InChIKeyHGPDFXWGCSXPSI-UHFFFAOYSA-N
XLogP3.27
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione with MolForge

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Related Compounds

[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane
CID 148534407
2-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 150988323
2-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]-N-methyl-2-methylsulfanylacetamide
CID 152539963
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine
CID 163697092
2-(3-ethylsulfonyl-2-pyridinyl)-5-methoxy-1-methylbenzimidazole
CID 118581574
ethylimino-[2-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-1-methylbenzimidazol-5-yl]-oxo-(trifluoromethyl)-λ6-sulfane
CID 166038805
6-(difluoromethylsulfinyl)-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
CID 137403869
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619
2-[3-ethylsulfonyl-5-(trimethoxymethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118570981
2-(5-ethylsulfonylpyrimidin-4-yl)-1-methyl-5-(trifluoromethyl)benzimidazole
CID 57345405
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
6-cyclopropyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
CID 118973507

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione?
The IUPAC name of 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione (CID 137403349) is 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione.
What is the SMILES notation for 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione?
The canonical SMILES for 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione is CCS(=O)(=O)c1cc(OC(C)C)cnc1-c1nc2cc(=S)[nH]cc2n1C.
What is the InChIKey of 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione?
The InChIKey is HGPDFXWGCSXPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-5-26(22,23)14-6-11(24-10(2)3)8-19-16(14)17-20-12-7-15(25)18-9-13(12)21(17)4/h6-10H,5H2,1-4H3,(H,18,25).
What are the key properties of 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione?
2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione has a molecular weight of 392.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-3-methyl-5H-imidazo[4,5-c]pyridine-6-thione is sourced from PubChem (CID 137403349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).