2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine

C13H18N4O — CID 79815882

IUPAC2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine
SMILESCCOc1ccc2[nH]c(C3CCCC3N)nc2n1
InChIInChI=1S/C13H18N4O/c1-2-18-11-7-6-10-13(16-11)17-12(15-10)8-4-3-5-9(8)14/h6-9H,2-5,14H2,1H3,(H,15,16,17)
InChIKeySXSQHMHKPHWOSZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.95
Rot. Bonds3

About 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine

2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine (PubChem CID 79815882) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine
PubChem CID79815882
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine
SMILESCCOc1ccc2[nH]c(C3CCCC3N)nc2n1
InChIInChI=1S/C13H18N4O/c1-2-18-11-7-6-10-13(16-11)17-12(15-10)8-4-3-5-9(8)14/h6-9H,2-5,14H2,1H3,(H,15,16,17)
InChIKeySXSQHMHKPHWOSZ-UHFFFAOYSA-N
XLogP1.95
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.95
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)cyclopentan-1-amine?
The IUPAC name of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine (CID 79815882) is 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine is CCOc1ccc2[nH]c(C3CCCC3N)nc2n1.
What is the InChIKey of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine?
The InChIKey is SXSQHMHKPHWOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-18-11-7-6-10-13(16-11)17-12(15-10)8-4-3-5-9(8)14/h6-9H,2-5,14H2,1H3,(H,15,16,17).
What are the key properties of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine?
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 1.95, 3 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)cyclopentan-1-amine is sourced from PubChem (CID 79815882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).