3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine

C19H8F7N3 — CID 11742332

IUPAC3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFc1cnc(-c2cc(-c3cnc4c(F)c(C(F)(F)F)ccn34)ccc2F)c(F)c1
InChIInChI=1S/C19H8F7N3/c20-10-6-14(22)17(27-7-10)11-5-9(1-2-13(11)21)15-8-28-18-16(23)12(19(24,25)26)3-4-29(15)18/h1-8H
InChIKeyXXQKIZNGOJCEFN-UHFFFAOYSA-N
MW411.28 g/mol
LogP5.64
Rot. Bonds2

About 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 11742332) has the molecular formula C19H8F7N3 and a molecular weight of 411.28 g/mol. Its IUPAC name is 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID11742332
Molecular FormulaC19H8F7N3
Molecular Weight411.28 g/mol
Exact Mass411.06
IUPAC Name3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFc1cnc(-c2cc(-c3cnc4c(F)c(C(F)(F)F)ccn34)ccc2F)c(F)c1
InChIInChI=1S/C19H8F7N3/c20-10-6-14(22)17(27-7-10)11-5-9(1-2-13(11)21)15-8-28-18-16(23)12(19(24,25)26)3-4-29(15)18/h1-8H
InChIKeyXXQKIZNGOJCEFN-UHFFFAOYSA-N
XLogP5.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.28
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 11742332) is 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine is Fc1cnc(-c2cc(-c3cnc4c(F)c(C(F)(F)F)ccn34)ccc2F)c(F)c1.
What is the InChIKey of 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is XXQKIZNGOJCEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8F7N3/c20-10-6-14(22)17(27-7-10)11-5-9(1-2-13(11)21)15-8-28-18-16(23)12(19(24,25)26)3-4-29(15)18/h1-8H.
What are the key properties of 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 411.28 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-8-fluoro-7-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 11742332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).