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

C15H16N4O2 — CID 79826712

IUPAC4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline
SMILESCCOc1ccc2[nH]c(COc3ccc(N)cc3)nc2n1
InChIInChI=1S/C15H16N4O2/c1-2-20-14-8-7-12-15(19-14)18-13(17-12)9-21-11-5-3-10(16)4-6-11/h3-8H,2,9,16H2,1H3,(H,17,18,19)
InChIKeyQJHSDPDBJZRGGG-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.52
Rot. Bonds5

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

4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline (PubChem CID 79826712) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline
PubChem CID79826712
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline
SMILESCCOc1ccc2[nH]c(COc3ccc(N)cc3)nc2n1
InChIInChI=1S/C15H16N4O2/c1-2-20-14-8-7-12-15(19-14)18-13(17-12)9-21-11-5-3-10(16)4-6-11/h3-8H,2,9,16H2,1H3,(H,17,18,19)
InChIKeyQJHSDPDBJZRGGG-UHFFFAOYSA-N
XLogP2.52
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline?
The IUPAC name of 4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline (CID 79826712) is 4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline.
What is the SMILES notation for 4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline?
The canonical SMILES for 4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline is CCOc1ccc2[nH]c(COc3ccc(N)cc3)nc2n1.
What is the InChIKey of 4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline?
The InChIKey is QJHSDPDBJZRGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-20-14-8-7-12-15(19-14)18-13(17-12)9-21-11-5-3-10(16)4-6-11/h3-8H,2,9,16H2,1H3,(H,17,18,19).
What are the key properties of 4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline?
4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline has a molecular weight of 284.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]aniline is sourced from PubChem (CID 79826712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).