1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one

C17H13F3N2O2 — CID 166038872

IUPAC1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one
SMILESCCC(=O)c1ccc2nc(-c3ccc(OC(F)(F)F)cc3)cn2c1
InChIInChI=1S/C17H13F3N2O2/c1-2-15(23)12-5-8-16-21-14(10-22(16)9-12)11-3-6-13(7-4-11)24-17(18,19)20/h3-10H,2H2,1H3
InChIKeySSIXYOJTHZDYSI-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.49
Rot. Bonds4

About 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one

1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one (PubChem CID 166038872) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one
PubChem CID166038872
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one
SMILESCCC(=O)c1ccc2nc(-c3ccc(OC(F)(F)F)cc3)cn2c1
InChIInChI=1S/C17H13F3N2O2/c1-2-15(23)12-5-8-16-21-14(10-22(16)9-12)11-3-6-13(7-4-11)24-17(18,19)20/h3-10H,2H2,1H3
InChIKeySSIXYOJTHZDYSI-UHFFFAOYSA-N
XLogP4.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one?
The IUPAC name of 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one (CID 166038872) is 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one.
What is the SMILES notation for 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one?
The canonical SMILES for 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one is CCC(=O)c1ccc2nc(-c3ccc(OC(F)(F)F)cc3)cn2c1.
What is the InChIKey of 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one?
The InChIKey is SSIXYOJTHZDYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-2-15(23)12-5-8-16-21-14(10-22(16)9-12)11-3-6-13(7-4-11)24-17(18,19)20/h3-10H,2H2,1H3.
What are the key properties of 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one?
1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one has a molecular weight of 334.30 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one is sourced from PubChem (CID 166038872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).