2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

C15H20N4OS — CID 654244

IUPAC2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nc3cccnc3n2C)CC1
InChIInChI=1S/C15H20N4OS/c1-11-5-8-19(9-6-11)13(20)10-21-15-17-12-4-3-7-16-14(12)18(15)2/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyOMSRIABMRGCWSB-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.32
Rot. Bonds3

About 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 654244) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID654244
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nc3cccnc3n2C)CC1
InChIInChI=1S/C15H20N4OS/c1-11-5-8-19(9-6-11)13(20)10-21-15-17-12-4-3-7-16-14(12)18(15)2/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyOMSRIABMRGCWSB-UHFFFAOYSA-N
XLogP2.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone (CID 654244) is 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CSc2nc3cccnc3n2C)CC1.
What is the InChIKey of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is OMSRIABMRGCWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-5-8-19(9-6-11)13(20)10-21-15-17-12-4-3-7-16-14(12)18(15)2/h3-4,7,11H,5-6,8-10H2,1-2H3.
What are the key properties of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone?
2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 304.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 654244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).