ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate

C20H17N3O2S — CID 134241898

IUPACethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc2cccnc2n1-c1cccc2ccccc12
InChIInChI=1S/C20H17N3O2S/c1-2-25-18(24)13-26-20-22-16-10-6-12-21-19(16)23(20)17-11-5-8-14-7-3-4-9-15(14)17/h3-12H,2,13H2,1H3
InChIKeyGHRKTCJCNUTEAI-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.23
Rot. Bonds5

About ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate

ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate (PubChem CID 134241898) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
PubChem CID134241898
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Nameethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc2cccnc2n1-c1cccc2ccccc12
InChIInChI=1S/C20H17N3O2S/c1-2-25-18(24)13-26-20-22-16-10-6-12-21-19(16)23(20)17-11-5-8-14-7-3-4-9-15(14)17/h3-12H,2,13H2,1H3
InChIKeyGHRKTCJCNUTEAI-UHFFFAOYSA-N
XLogP4.23
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol
CID 166805788
ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate
CID 134241841
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
ethyl butanoate;quinoline
CID 174829531
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2618905
N-(2-chloro-3-pyridinyl)-2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2567370
ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate
CID 45482820
ethyl N-[2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 7418989
2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate
CID 14947183
ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
CID 141154570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate (CID 134241898) is ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc2cccnc2n1-c1cccc2ccccc12.
What is the InChIKey of ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate?
The InChIKey is GHRKTCJCNUTEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-25-18(24)13-26-20-22-16-10-6-12-21-19(16)23(20)17-11-5-8-14-7-3-4-9-15(14)17/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate?
ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate has a molecular weight of 363.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate is sourced from PubChem (CID 134241898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).