N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

C16H22N4O2S — CID 3214251

IUPACN-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NC2CCCC2)nc2cccnc21
InChIInChI=1S/C16H22N4O2S/c1-22-10-9-20-15-13(7-4-8-17-15)19-16(20)23-11-14(21)18-12-5-2-3-6-12/h4,7-8,12H,2-3,5-6,9-11H2,1H3,(H,18,21)
InChIKeyMXISLVNNWISENJ-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.23
Rot. Bonds7

About N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (PubChem CID 3214251) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
PubChem CID3214251
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NC2CCCC2)nc2cccnc21
InChIInChI=1S/C16H22N4O2S/c1-22-10-9-20-15-13(7-4-8-17-15)19-16(20)23-11-14(21)18-12-5-2-3-6-12/h4,7-8,12H,2-3,5-6,9-11H2,1H3,(H,18,21)
InChIKeyMXISLVNNWISENJ-UHFFFAOYSA-N
XLogP2.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (CID 3214251) is N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is COCCn1c(SCC(=O)NC2CCCC2)nc2cccnc21.
What is the InChIKey of N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The InChIKey is MXISLVNNWISENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-22-10-9-20-15-13(7-4-8-17-15)19-16(20)23-11-14(21)18-12-5-2-3-6-12/h4,7-8,12H,2-3,5-6,9-11H2,1H3,(H,18,21).
What are the key properties of N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide has a molecular weight of 334.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3214251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).