2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone

C14H18N4OS — CID 587182

IUPAC2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CSc2nc3ncccc3[nH]2)C1
InChIInChI=1S/C14H18N4OS/c1-10-4-3-7-18(8-10)12(19)9-20-14-16-11-5-2-6-15-13(11)17-14/h2,5-6,10H,3-4,7-9H2,1H3,(H,15,16,17)
InChIKeyQQLUOPOFUAHNTB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.31
Rot. Bonds3

About 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone

2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 587182) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID587182
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CSc2nc3ncccc3[nH]2)C1
InChIInChI=1S/C14H18N4OS/c1-10-4-3-7-18(8-10)12(19)9-20-14-16-11-5-2-6-15-13(11)17-14/h2,5-6,10H,3-4,7-9H2,1H3,(H,15,16,17)
InChIKeyQQLUOPOFUAHNTB-UHFFFAOYSA-N
XLogP2.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,6,9-Tetrahydro-1,3-dimethyl-8-((3-pyridinylmethyl)thio)-6-thioxo-2H-purin-2-one
CID 3034547
2-({Imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)-6-methylpyrimidin-4-ol
CID 135468839
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 757389
N-(2-Ethylphenyl)-2-(3h-Imidazo[4,5-B]pyridin-2-Ylsulfanyl)acetamide
CID 1264291
dCeMM3
CID 684872
2-[(4-Fluorophenyl)methylthio]imidazo[5,4-b]pyridine
CID 778306
2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 137637913
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide
CID 1432270
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-isopropyl-acetamide
CID 1432472
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-tert-butyl-acetamide
CID 1432482
N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 3214251

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone (CID 587182) is 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CSc2nc3ncccc3[nH]2)C1.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is QQLUOPOFUAHNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-4-3-7-18(8-10)12(19)9-20-14-16-11-5-2-6-15-13(11)17-14/h2,5-6,10H,3-4,7-9H2,1H3,(H,15,16,17).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 290.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 587182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).