4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline

C19H14FN3S — CID 67176960

IUPAC4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline
SMILESNc1ccc(Sc2cnc3ccc(-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C19H14FN3S/c20-15-4-1-13(2-5-15)14-3-10-18-22-11-19(23(18)12-14)24-17-8-6-16(21)7-9-17/h1-12H,21H2
InChIKeyRADUYCHEATYONE-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.87
Rot. Bonds3

About 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline

4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline (PubChem CID 67176960) has the molecular formula C19H14FN3S and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline
PubChem CID67176960
Molecular FormulaC19H14FN3S
Molecular Weight335.41 g/mol
Exact Mass335.09
IUPAC Name4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline
SMILESNc1ccc(Sc2cnc3ccc(-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C19H14FN3S/c20-15-4-1-13(2-5-15)14-3-10-18-22-11-19(23(18)12-14)24-17-8-6-16(21)7-9-17/h1-12H,21H2
InChIKeyRADUYCHEATYONE-UHFFFAOYSA-N
XLogP4.87
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline?
The IUPAC name of 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline (CID 67176960) is 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline.
What is the SMILES notation for 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline?
The canonical SMILES for 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline is Nc1ccc(Sc2cnc3ccc(-c4ccc(F)cc4)cn23)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline?
The InChIKey is RADUYCHEATYONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S/c20-15-4-1-13(2-5-15)14-3-10-18-22-11-19(23(18)12-14)24-17-8-6-16(21)7-9-17/h1-12H,21H2.
What are the key properties of 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline?
4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline has a molecular weight of 335.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfanylaniline is sourced from PubChem (CID 67176960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).