2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine

C20H20FN5O2 — CID 71569116

IUPAC2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
SMILESCOCCOCn1c(-c2ccc(F)cc2)nc2cc(-c3cnn(C)c3)cnc21
InChIInChI=1S/C20H20FN5O2/c1-25-12-16(11-23-25)15-9-18-20(22-10-15)26(13-28-8-7-27-2)19(24-18)14-3-5-17(21)6-4-14/h3-6,9-12H,7-8,13H2,1-2H3
InChIKeyXXCYBRWFLWEMOT-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.26
Rot. Bonds7

About 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine

2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine (PubChem CID 71569116) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
PubChem CID71569116
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
SMILESCOCCOCn1c(-c2ccc(F)cc2)nc2cc(-c3cnn(C)c3)cnc21
InChIInChI=1S/C20H20FN5O2/c1-25-12-16(11-23-25)15-9-18-20(22-10-15)26(13-28-8-7-27-2)19(24-18)14-3-5-17(21)6-4-14/h3-6,9-12H,7-8,13H2,1-2H3
InChIKeyXXCYBRWFLWEMOT-UHFFFAOYSA-N
XLogP3.26
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine 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 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine (CID 71569116) is 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine is COCCOCn1c(-c2ccc(F)cc2)nc2cc(-c3cnn(C)c3)cnc21.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is XXCYBRWFLWEMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-25-12-16(11-23-25)15-9-18-20(22-10-15)26(13-28-8-7-27-2)19(24-18)14-3-5-17(21)6-4-14/h3-6,9-12H,7-8,13H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine?
2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 381.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 71569116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).