2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone

C16H22N4O2S — CID 647725

IUPAC2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone
SMILESCOCCn1c(SCC(=O)N2CCCCC2)nc2cccnc21
InChIInChI=1S/C16H22N4O2S/c1-22-11-10-20-15-13(6-5-7-17-15)18-16(20)23-12-14(21)19-8-3-2-4-9-19/h5-7H,2-4,8-12H2,1H3
InChIKeyAUGFSTKPJLLQSY-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.18
Rot. Bonds6

About 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone

2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone (PubChem CID 647725) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone
PubChem CID647725
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone
SMILESCOCCn1c(SCC(=O)N2CCCCC2)nc2cccnc21
InChIInChI=1S/C16H22N4O2S/c1-22-11-10-20-15-13(6-5-7-17-15)18-16(20)23-12-14(21)19-8-3-2-4-9-19/h5-7H,2-4,8-12H2,1H3
InChIKeyAUGFSTKPJLLQSY-UHFFFAOYSA-N
XLogP2.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone (CID 647725) is 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone is COCCn1c(SCC(=O)N2CCCCC2)nc2cccnc21.
What is the InChIKey of 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is AUGFSTKPJLLQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-22-11-10-20-15-13(6-5-7-17-15)18-16(20)23-12-14(21)19-8-3-2-4-9-19/h5-7H,2-4,8-12H2,1H3.
What are the key properties of 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone?
2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 334.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 647725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).