3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C21H17BrFN3O — CID 56593425

IUPAC3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccn3c(-c4ccnc(F)c4Br)cnc3c2)cc1
InChIInChI=1S/C21H17BrFN3O/c1-13(2)27-16-5-3-14(4-6-16)15-8-10-26-18(12-25-19(26)11-15)17-7-9-24-21(23)20(17)22/h3-13H,1-2H3
InChIKeyDCWWJYORJYZUIG-UHFFFAOYSA-N
MW426.29 g/mol
LogP5.75
Rot. Bonds4

About 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 56593425) has the molecular formula C21H17BrFN3O and a molecular weight of 426.29 g/mol. Its IUPAC name is 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID56593425
Molecular FormulaC21H17BrFN3O
Molecular Weight426.29 g/mol
Exact Mass425.05
IUPAC Name3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccn3c(-c4ccnc(F)c4Br)cnc3c2)cc1
InChIInChI=1S/C21H17BrFN3O/c1-13(2)27-16-5-3-14(4-6-16)15-8-10-26-18(12-25-19(26)11-15)17-7-9-24-21(23)20(17)22/h3-13H,1-2H3
InChIKeyDCWWJYORJYZUIG-UHFFFAOYSA-N
XLogP5.75
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.29
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]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 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 56593425) is 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is CC(C)Oc1ccc(-c2ccn3c(-c4ccnc(F)c4Br)cnc3c2)cc1.
What is the InChIKey of 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is DCWWJYORJYZUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN3O/c1-13(2)27-16-5-3-14(4-6-16)15-8-10-26-18(12-25-19(26)11-15)17-7-9-24-21(23)20(17)22/h3-13H,1-2H3.
What are the key properties of 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 426.29 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 56593425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).