4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline

C18H22N4O — CID 94758729

IUPAC4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
SMILESCc1cnc2c(c1)nc(C(C)C)n2CCOc1ccc(N)cc1
InChIInChI=1S/C18H22N4O/c1-12(2)17-21-16-10-13(3)11-20-18(16)22(17)8-9-23-15-6-4-14(19)5-7-15/h4-7,10-12H,8-9,19H2,1-3H3
InChIKeyBEWKGIJGSJKRDN-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.52
Rot. Bonds5

About 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline

4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline (PubChem CID 94758729) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
PubChem CID94758729
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
SMILESCc1cnc2c(c1)nc(C(C)C)n2CCOc1ccc(N)cc1
InChIInChI=1S/C18H22N4O/c1-12(2)17-21-16-10-13(3)11-20-18(16)22(17)8-9-23-15-6-4-14(19)5-7-15/h4-7,10-12H,8-9,19H2,1-3H3
InChIKeyBEWKGIJGSJKRDN-UHFFFAOYSA-N
XLogP3.52
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline 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 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The IUPAC name of 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline (CID 94758729) is 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline is Cc1cnc2c(c1)nc(C(C)C)n2CCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The InChIKey is BEWKGIJGSJKRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12(2)17-21-16-10-13(3)11-20-18(16)22(17)8-9-23-15-6-4-14(19)5-7-15/h4-7,10-12H,8-9,19H2,1-3H3.
What are the key properties of 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline has a molecular weight of 310.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline is sourced from PubChem (CID 94758729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).