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

C21H17FN4O3S — CID 24991486

IUPAC2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
SMILESCS(=O)(=O)c1ccc(Nc2ccc(-c3ccc(C(N)=O)c(F)c3)n3ccnc23)cc1
InChIInChI=1S/C21H17FN4O3S/c1-30(28,29)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)
InChIKeyZUDWWIPTGWEVGN-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.39
Rot. Bonds5

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

2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide (PubChem CID 24991486) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
PubChem CID24991486
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC Name2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
SMILESCS(=O)(=O)c1ccc(Nc2ccc(-c3ccc(C(N)=O)c(F)c3)n3ccnc23)cc1
InChIInChI=1S/C21H17FN4O3S/c1-30(28,29)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)
InChIKeyZUDWWIPTGWEVGN-UHFFFAOYSA-N
XLogP3.39
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide?
The IUPAC name of 2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide (CID 24991486) is 2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide?
The canonical SMILES for 2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide is CS(=O)(=O)c1ccc(Nc2ccc(-c3ccc(C(N)=O)c(F)c3)n3ccnc23)cc1.
What is the InChIKey of 2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide?
The InChIKey is ZUDWWIPTGWEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-30(28,29)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-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide?
2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide is sourced from PubChem (CID 24991486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).