ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate

C18H24N4O3S — CID 645427

IUPACethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C18H24N4O3S/c1-2-25-16(24)11-20-15(23)12-26-18-21-14-9-6-10-19-17(14)22(18)13-7-4-3-5-8-13/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,20,23)
InChIKeyTYQZUHHMOBBXRO-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.71
Rot. Bonds7

About ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate

ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate (PubChem CID 645427) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
PubChem CID645427
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Nameethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C18H24N4O3S/c1-2-25-16(24)11-20-15(23)12-26-18-21-14-9-6-10-19-17(14)22(18)13-7-4-3-5-8-13/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,20,23)
InChIKeyTYQZUHHMOBBXRO-UHFFFAOYSA-N
XLogP2.71
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate (CID 645427) is ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C1CCCCC1.
What is the InChIKey of ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
The InChIKey is TYQZUHHMOBBXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-2-25-16(24)11-20-15(23)12-26-18-21-14-9-6-10-19-17(14)22(18)13-7-4-3-5-8-13/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,20,23).
What are the key properties of ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate has a molecular weight of 376.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate is sourced from PubChem (CID 645427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).