3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C18H9F5N4 — CID 10199517

IUPAC3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)cc1-c1ncccc1F
InChIInChI=1S/C18H9F5N4/c19-12-4-3-10(8-11(12)16-13(20)2-1-6-24-16)14-9-25-17-26-15(18(21,22)23)5-7-27(14)17/h1-9H
InChIKeyCWHFCKBUPUFYBV-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.76
Rot. Bonds2

About 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 10199517) has the molecular formula C18H9F5N4 and a molecular weight of 376.29 g/mol. Its IUPAC name is 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID10199517
Molecular FormulaC18H9F5N4
Molecular Weight376.29 g/mol
Exact Mass376.07
IUPAC Name3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)cc1-c1ncccc1F
InChIInChI=1S/C18H9F5N4/c19-12-4-3-10(8-11(12)16-13(20)2-1-6-24-16)14-9-25-17-26-15(18(21,22)23)5-7-27(14)17/h1-9H
InChIKeyCWHFCKBUPUFYBV-UHFFFAOYSA-N
XLogP4.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 10199517) is 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is Fc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)cc1-c1ncccc1F.
What is the InChIKey of 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is CWHFCKBUPUFYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F5N4/c19-12-4-3-10(8-11(12)16-13(20)2-1-6-24-16)14-9-25-17-26-15(18(21,22)23)5-7-27(14)17/h1-9H.
What are the key properties of 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 376.29 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 10199517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).