2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid

C12H13N3O3 — CID 79815805

IUPAC2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
SMILESCCOc1ccc2[nH]c(C3CC3C(=O)O)nc2n1
InChIInChI=1S/C12H13N3O3/c1-2-18-9-4-3-8-11(14-9)15-10(13-8)6-5-7(6)12(16)17/h3-4,6-7H,2,5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyMTRFLVAYVMDDMI-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.54
Rot. Bonds4

About 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid

2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 79815805) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
PubChem CID79815805
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
SMILESCCOc1ccc2[nH]c(C3CC3C(=O)O)nc2n1
InChIInChI=1S/C12H13N3O3/c1-2-18-9-4-3-8-11(14-9)15-10(13-8)6-5-7(6)12(16)17/h3-4,6-7H,2,5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyMTRFLVAYVMDDMI-UHFFFAOYSA-N
XLogP1.54
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid (CID 79815805) is 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid is CCOc1ccc2[nH]c(C3CC3C(=O)O)nc2n1.
What is the InChIKey of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is MTRFLVAYVMDDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-18-9-4-3-8-11(14-9)15-10(13-8)6-5-7(6)12(16)17/h3-4,6-7H,2,5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid?
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79815805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).