2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide

C21H17FN4O2S — CID 143681984

IUPAC2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
SMILESCS(=O)c1ccc(Nc2ccc(-c3ccc(C(N)=O)c(F)c3)n3ccnc23)cc1
InChIInChI=1S/C21H17FN4O2S/c1-29(28)15-5-3-14(4-6-15)25-18-8-9-19(26-11-10-24-21(18)26)13-2-7-16(20(23)27)17(22)12-13/h2-12,25H,1H3,(H2,23,27)
InChIKeyQHIBOJRVNGULFR-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.72
Rot. Bonds5

About 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide

2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide (PubChem CID 143681984) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
PubChem CID143681984
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
SMILESCS(=O)c1ccc(Nc2ccc(-c3ccc(C(N)=O)c(F)c3)n3ccnc23)cc1
InChIInChI=1S/C21H17FN4O2S/c1-29(28)15-5-3-14(4-6-15)25-18-8-9-19(26-11-10-24-21(18)26)13-2-7-16(20(23)27)17(22)12-13/h2-12,25H,1H3,(H2,23,27)
InChIKeyQHIBOJRVNGULFR-UHFFFAOYSA-N
XLogP3.72
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gne-617
CID 68277611
MK 996
CID 133031
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CID 66611965
2,6-difluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
CID 44223627
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359
N-[(1S)-1-(3-fluorophenyl)-3-[(1S,5R)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-4-methylsulfonylbenzamide
CID 52940645
2-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 4452339
4-fluoro-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 5079626
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 5221932

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide?
The IUPAC name of 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide (CID 143681984) is 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide?
The canonical SMILES for 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide is CS(=O)c1ccc(Nc2ccc(-c3ccc(C(N)=O)c(F)c3)n3ccnc23)cc1.
What is the InChIKey of 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide?
The InChIKey is QHIBOJRVNGULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-29(28)15-5-3-14(4-6-15)25-18-8-9-19(26-11-10-24-21(18)26)13-2-7-16(20(23)27)17(22)12-13/h2-12,25H,1H3,(H2,23,27).
What are the key properties of 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide?
2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-(4-methylsulfinylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide is sourced from PubChem (CID 143681984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).