7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine

C12H10N4OS — CID 68778086

IUPAC7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)c1c(-c2ccccn2)cnc2nc[nH]c12
InChIInChI=1S/C12H10N4OS/c1-18(17)11-8(9-4-2-3-5-13-9)6-14-12-10(11)15-7-16-12/h2-7H,1H3,(H,14,15,16)
InChIKeyRARJDCRMXYOSDW-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.76
Rot. Bonds2

About 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine

7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 68778086) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID68778086
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)c1c(-c2ccccn2)cnc2nc[nH]c12
InChIInChI=1S/C12H10N4OS/c1-18(17)11-8(9-4-2-3-5-13-9)6-14-12-10(11)15-7-16-12/h2-7H,1H3,(H,14,15,16)
InChIKeyRARJDCRMXYOSDW-UHFFFAOYSA-N
XLogP1.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine (CID 68778086) is 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine is CS(=O)c1c(-c2ccccn2)cnc2nc[nH]c12.
What is the InChIKey of 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is RARJDCRMXYOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-18(17)11-8(9-4-2-3-5-13-9)6-14-12-10(11)15-7-16-12/h2-7H,1H3,(H,14,15,16).
What are the key properties of 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine?
7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 258.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfinyl-6-pyridin-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 68778086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).