5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine

C13H13N3O2S — CID 81121622

IUPAC5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(-c3cc(OC)cs3)nc2n1
InChIInChI=1S/C13H13N3O2S/c1-3-18-11-5-4-9-12(15-11)16-13(14-9)10-6-8(17-2)7-19-10/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyMYHNISJOQAKZFV-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.09
Rot. Bonds4

About 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine

5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 81121622) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID81121622
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(-c3cc(OC)cs3)nc2n1
InChIInChI=1S/C13H13N3O2S/c1-3-18-11-5-4-9-12(15-11)16-13(14-9)10-6-8(17-2)7-19-10/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyMYHNISJOQAKZFV-UHFFFAOYSA-N
XLogP3.09
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine (CID 81121622) is 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine is CCOc1ccc2[nH]c(-c3cc(OC)cs3)nc2n1.
What is the InChIKey of 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is MYHNISJOQAKZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-3-18-11-5-4-9-12(15-11)16-13(14-9)10-6-8(17-2)7-19-10/h4-7H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 275.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81121622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).