ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate

C17H17N3O3S — CID 19821929

IUPACethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate
SMILESCCOC(=O)CSc1ccc(-c2nc3ccncc3[nH]2)c(OC)c1
InChIInChI=1S/C17H17N3O3S/c1-3-23-16(21)10-24-11-4-5-12(15(8-11)22-2)17-19-13-6-7-18-9-14(13)20-17/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyUXCDUWWSFZESBJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.29
Rot. Bonds6

About ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate

ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate (PubChem CID 19821929) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate
PubChem CID19821929
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Nameethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate
SMILESCCOC(=O)CSc1ccc(-c2nc3ccncc3[nH]2)c(OC)c1
InChIInChI=1S/C17H17N3O3S/c1-3-23-16(21)10-24-11-4-5-12(15(8-11)22-2)17-19-13-6-7-18-9-14(13)20-17/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyUXCDUWWSFZESBJ-UHFFFAOYSA-N
XLogP3.29
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate?
The IUPAC name of ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate (CID 19821929) is ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate is CCOC(=O)CSc1ccc(-c2nc3ccncc3[nH]2)c(OC)c1.
What is the InChIKey of ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate?
The InChIKey is UXCDUWWSFZESBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-23-16(21)10-24-11-4-5-12(15(8-11)22-2)17-19-13-6-7-18-9-14(13)20-17/h4-9H,3,10H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate?
ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate has a molecular weight of 343.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate is sourced from PubChem (CID 19821929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).