4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C17H16N6O2S — CID 11462778

IUPAC4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cnc(Sc3cccc(OC)c3)cc21
InChIInChI=1S/C17H16N6O2S/c1-3-23-13-8-14(26-11-6-4-5-10(7-11)24-2)19-9-12(13)20-17(23)15-16(18)22-25-21-15/h4-9H,3H2,1-2H3,(H2,18,22)
InChIKeyKDTKMXLLIHARMX-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.24
Rot. Bonds5

About 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11462778) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID11462778
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cnc(Sc3cccc(OC)c3)cc21
InChIInChI=1S/C17H16N6O2S/c1-3-23-13-8-14(26-11-6-4-5-10(7-11)24-2)19-9-12(13)20-17(23)15-16(18)22-25-21-15/h4-9H,3H2,1-2H3,(H2,18,22)
InChIKeyKDTKMXLLIHARMX-UHFFFAOYSA-N
XLogP3.24
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 11462778) is 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2cnc(Sc3cccc(OC)c3)cc21.
What is the InChIKey of 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is KDTKMXLLIHARMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-3-23-13-8-14(26-11-6-4-5-10(7-11)24-2)19-9-12(13)20-17(23)15-16(18)22-25-21-15/h4-9H,3H2,1-2H3,(H2,18,22).
What are the key properties of 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 368.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11462778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).