6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine

C18H11F3N4O — CID 122506713

IUPAC6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3c2)c(F)c1
InChIInChI=1S/C18H11F3N4O/c19-12-1-2-15(16(20)5-12)11-7-23-18-24-13(9-25(18)8-11)10-26-14-3-4-22-17(21)6-14/h1-9H,10H2
InChIKeyHEKAALWFSREBNV-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.79
Rot. Bonds4

About 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine

6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (PubChem CID 122506713) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
PubChem CID122506713
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3c2)c(F)c1
InChIInChI=1S/C18H11F3N4O/c19-12-1-2-15(16(20)5-12)11-7-23-18-24-13(9-25(18)8-11)10-26-14-3-4-22-17(21)6-14/h1-9H,10H2
InChIKeyHEKAALWFSREBNV-UHFFFAOYSA-N
XLogP3.79
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine 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 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (CID 122506713) is 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is Fc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3c2)c(F)c1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is HEKAALWFSREBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-12-1-2-15(16(20)5-12)11-7-23-18-24-13(9-25(18)8-11)10-26-14-3-4-22-17(21)6-14/h1-9H,10H2.
What are the key properties of 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 356.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).