2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

C18H16N4OS — CID 11151850

IUPAC2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4cccs4)cc3[nH]2)c1
InChIInChI=1S/C18H16N4OS/c1-23-14-6-7-19-13(10-14)4-5-17-21-15-9-12(11-20-18(15)22-17)16-3-2-8-24-16/h2-3,6-11H,4-5H2,1H3,(H,20,21,22)
InChIKeyIKLJUGXBGBBVDB-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.88
Rot. Bonds5

About 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 11151850) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID11151850
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4cccs4)cc3[nH]2)c1
InChIInChI=1S/C18H16N4OS/c1-23-14-6-7-19-13(10-14)4-5-17-21-15-9-12(11-20-18(15)22-17)16-3-2-8-24-16/h2-3,6-11H,4-5H2,1H3,(H,20,21,22)
InChIKeyIKLJUGXBGBBVDB-UHFFFAOYSA-N
XLogP3.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (CID 11151850) is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(-c4cccs4)cc3[nH]2)c1.
What is the InChIKey of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is IKLJUGXBGBBVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-23-14-6-7-19-13(10-14)4-5-17-21-15-9-12(11-20-18(15)22-17)16-3-2-8-24-16/h2-3,6-11H,4-5H2,1H3,(H,20,21,22).
What are the key properties of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 336.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11151850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).