N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide

C22H16FN3O2 — CID 46948241

IUPACN-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(F)cc4)cn23)c1
InChIInChI=1S/C22H16FN3O2/c1-14(28)16-3-2-4-17(9-16)21-11-24-22-20(25-13-27)10-18(12-26(21)22)15-5-7-19(23)8-6-15/h2-13H,1H3,(H,25,27)
InChIKeyQVESABWARUAGES-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.58
Rot. Bonds5

About N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide

N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46948241) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46948241
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(F)cc4)cn23)c1
InChIInChI=1S/C22H16FN3O2/c1-14(28)16-3-2-4-17(9-16)21-11-24-22-20(25-13-27)10-18(12-26(21)22)15-5-7-19(23)8-6-15/h2-13H,1H3,(H,25,27)
InChIKeyQVESABWARUAGES-UHFFFAOYSA-N
XLogP4.58
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide (CID 46948241) is N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide is CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(F)cc4)cn23)c1.
What is the InChIKey of N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is QVESABWARUAGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-14(28)16-3-2-4-17(9-16)21-11-24-22-20(25-13-27)10-18(12-26(21)22)15-5-7-19(23)8-6-15/h2-13H,1H3,(H,25,27).
What are the key properties of N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 373.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetylphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46948241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).