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

C13H16N6O — CID 79815571

IUPAC1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine
SMILESCCOc1ccc2[nH]c(C(N)Cc3cnc[nH]3)nc2n1
InChIInChI=1S/C13H16N6O/c1-2-20-11-4-3-10-13(18-11)19-12(17-10)9(14)5-8-6-15-7-16-8/h3-4,6-7,9H,2,5,14H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyBUOTUAKWLVQAOD-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.32
Rot. Bonds5

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

1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 79815571) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine
PubChem CID79815571
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine
SMILESCCOc1ccc2[nH]c(C(N)Cc3cnc[nH]3)nc2n1
InChIInChI=1S/C13H16N6O/c1-2-20-11-4-3-10-13(18-11)19-12(17-10)9(14)5-8-6-15-7-16-8/h3-4,6-7,9H,2,5,14H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyBUOTUAKWLVQAOD-UHFFFAOYSA-N
XLogP1.32
TPSA105.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine (CID 79815571) is 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine is CCOc1ccc2[nH]c(C(N)Cc3cnc[nH]3)nc2n1.
What is the InChIKey of 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is BUOTUAKWLVQAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-2-20-11-4-3-10-13(18-11)19-12(17-10)9(14)5-8-6-15-7-16-8/h3-4,6-7,9H,2,5,14H2,1H3,(H,15,16)(H,17,18,19).
What are the key properties of 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine?
1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 272.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 79815571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).