ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite

C19H18F2N4S — CID 145448799

IUPACethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite
SMILESCC.Cc1cc(-c2nn(SF)cc2-c2ccc3nccn3c2)ccc1F
InChIInChI=1S/C17H12F2N4S.C2H6/c1-11-8-12(2-4-15(11)18)17-14(10-23(21-17)24-19)13-3-5-16-20-6-7-22(16)9-13;1-2/h2-10H,1H3;1-2H3
InChIKeyODJIRHTWKIBBRC-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.72
Rot. Bonds3

About ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite

ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite (PubChem CID 145448799) has the molecular formula C19H18F2N4S and a molecular weight of 372.44 g/mol. Its IUPAC name is ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Nameethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite
PubChem CID145448799
Molecular FormulaC19H18F2N4S
Molecular Weight372.44 g/mol
Exact Mass372.12
IUPAC Nameethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite
SMILESCC.Cc1cc(-c2nn(SF)cc2-c2ccc3nccn3c2)ccc1F
InChIInChI=1S/C17H12F2N4S.C2H6/c1-11-8-12(2-4-15(11)18)17-14(10-23(21-17)24-19)13-3-5-16-20-6-7-22(16)9-13;1-2/h2-10H,1H3;1-2H3
InChIKeyODJIRHTWKIBBRC-UHFFFAOYSA-N
XLogP5.72
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-thiazol-2-amine
CID 122510871
7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine
CID 90096306
[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite
CID 145448708
N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]morpholine-4-carboxamide
CID 90094843
N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide
CID 123332581
6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121350131
6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 23629220
ethane;[3-(4-fluorophenyl)-4-methylpyrazol-1-yl] thiohypofluorite
CID 145448851
6-[3-(4-methylsulfanylphenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
CID 22031951
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 90094224
6-[5-(3,4-difluorophenyl)-1H-imidazol-4-yl]imidazo[1,2-a]pyridine
CID 122510502
3-(3-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-methylsulfanylaniline
CID 144943671

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite?
The IUPAC name of ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite (CID 145448799) is ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite.
What is the SMILES notation for ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite?
The canonical SMILES for ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite is CC.Cc1cc(-c2nn(SF)cc2-c2ccc3nccn3c2)ccc1F.
What is the InChIKey of ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite?
The InChIKey is ODJIRHTWKIBBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4S.C2H6/c1-11-8-12(2-4-15(11)18)17-14(10-23(21-17)24-19)13-3-5-16-20-6-7-22(16)9-13;1-2/h2-10H,1H3;1-2H3.
What are the key properties of ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite?
ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite has a molecular weight of 372.44 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(4-fluoro-3-methylphenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl] thiohypofluorite is sourced from PubChem (CID 145448799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).