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

C18H12F2N4O — CID 122506657

IUPAC6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3c2)cc1
InChIInChI=1S/C18H12F2N4O/c19-14-3-1-12(2-4-14)13-8-22-18-23-15(10-24(18)9-13)11-25-16-5-6-21-17(20)7-16/h1-10H,11H2
InChIKeyTUCXEIOLXRZSRQ-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.65
Rot. Bonds4

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

6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (PubChem CID 122506657) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
PubChem CID122506657
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3c2)cc1
InChIInChI=1S/C18H12F2N4O/c19-14-3-1-12(2-4-14)13-8-22-18-23-15(10-24(18)9-13)11-25-16-5-6-21-17(20)7-16/h1-10H,11H2
InChIKeyTUCXEIOLXRZSRQ-UHFFFAOYSA-N
XLogP3.65
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]pyridine
CID 18678176
3-[2-(4-Benzyl-phenoxy)-ethyl]-3H-imidazo[4,5-c]pyridine
CID 18678179
4-[6-[(1-Methyl-4-phenylimidazol-2-yl)methoxy]-2-pyridin-3-ylpyrimidin-4-yl]morpholine
CID 165414975
3-(2-(2-Methoxyphenyl)pyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 44408254
2-(2-Fluorophenyl)-5-(2-phenoxyethyl)imidazo[4,5-c]pyridine
CID 44427166
2-(4-Fluorophenyl)-6-methyl-3-[3-[(6-methyl-3-pyridyl)oxy]propoxy]imidazo[1,2-a]pyridine
CID 137632320
2-(4-Fluorophenyl)-3-[3-[(5-fluoro-3-pyridyl)oxy]propoxy]-6-methyl-imidazo[1,2-a]pyridine
CID 137641856
2-(4-Fluorophenyl)-6-methyl-3-[3-(3-pyridyloxy)propoxy]imidazo[1,2-a]pyridine
CID 137653069
3-[3-[(2,6-Dimethyl-3-pyridyl)oxy]propoxy]-2-(4-fluorophenyl)-6-methyl-imidazo[1,2-a]pyridine
CID 137653408
4-[7-[2-(Dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 155516599
6-(4-Fluoro-2-methylphenyl)-1-(6-methoxy-3-pyridinyl)imidazo[4,5-c]pyridine
CID 164612200

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (CID 122506657) is 6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is Fc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3c2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is TUCXEIOLXRZSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-14-3-1-12(2-4-14)13-8-22-18-23-15(10-24(18)9-13)11-25-16-5-6-21-17(20)7-16/h1-10H,11H2.
What are the key properties of 6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 338.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).