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

C15H13N3OS — CID 655285

IUPAC2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone
SMILESCn1c(SCC(=O)c2ccccc2)nc2cccnc21
InChIInChI=1S/C15H13N3OS/c1-18-14-12(8-5-9-16-14)17-15(18)20-10-13(19)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyWLDFMBXILKIDBL-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.94
Rot. Bonds4

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

2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone (PubChem CID 655285) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone
PubChem CID655285
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone
SMILESCn1c(SCC(=O)c2ccccc2)nc2cccnc21
InChIInChI=1S/C15H13N3OS/c1-18-14-12(8-5-9-16-14)17-15(18)20-10-13(19)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyWLDFMBXILKIDBL-UHFFFAOYSA-N
XLogP2.94
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.94
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-phenylethanone?
The IUPAC name of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone (CID 655285) is 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone is Cn1c(SCC(=O)c2ccccc2)nc2cccnc21.
What is the InChIKey of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone?
The InChIKey is WLDFMBXILKIDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-18-14-12(8-5-9-16-14)17-15(18)20-10-13(19)11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone?
2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-phenylethanone has a molecular weight of 283.36 g/mol, XLogP of 2.94, 4 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-phenylethanone is sourced from PubChem (CID 655285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).