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

C13H16N4OS — CID 3214203

IUPAC2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCn1c(SCC(=O)N2CCCC2)nc2cccnc21
InChIInChI=1S/C13H16N4OS/c1-16-12-10(5-4-6-14-12)15-13(16)19-9-11(18)17-7-2-3-8-17/h4-6H,2-3,7-9H2,1H3
InChIKeyTVDMVXPUIQLJLH-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.68
Rot. Bonds3

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

2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 3214203) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID3214203
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCn1c(SCC(=O)N2CCCC2)nc2cccnc21
InChIInChI=1S/C13H16N4OS/c1-16-12-10(5-4-6-14-12)15-13(16)19-9-11(18)17-7-2-3-8-17/h4-6H,2-3,7-9H2,1H3
InChIKeyTVDMVXPUIQLJLH-UHFFFAOYSA-N
XLogP1.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.68
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-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 3214203) is 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone is Cn1c(SCC(=O)N2CCCC2)nc2cccnc21.
What is the InChIKey of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is TVDMVXPUIQLJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16-12-10(5-4-6-14-12)15-13(16)19-9-11(18)17-7-2-3-8-17/h4-6H,2-3,7-9H2,1H3.
What are the key properties of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 276.36 g/mol, XLogP of 1.68, 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-pyrrolidin-1-ylethanone is sourced from PubChem (CID 3214203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).