5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C22H18N4O3S — CID 24987792

IUPAC5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCS(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C22H18N4O3S/c1-30(28,29)17-5-3-16(4-6-17)25-19-8-9-20(26-11-10-23-21(19)26)14-2-7-18-15(12-14)13-24-22(18)27/h2-12,25H,13H2,1H3,(H,24,27)
InChIKeyWQIDIWNYWCOYHB-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.39
Rot. Bonds4

About 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 24987792) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID24987792
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCS(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C22H18N4O3S/c1-30(28,29)17-5-3-16(4-6-17)25-19-8-9-20(26-11-10-23-21(19)26)14-2-7-18-15(12-14)13-24-22(18)27/h2-12,25H,13H2,1H3,(H,24,27)
InChIKeyWQIDIWNYWCOYHB-UHFFFAOYSA-N
XLogP3.39
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 24987792) is 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is CS(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.
What is the InChIKey of 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is WQIDIWNYWCOYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-30(28,29)17-5-3-16(4-6-17)25-19-8-9-20(26-11-10-23-21(19)26)14-2-7-18-15(12-14)13-24-22(18)27/h2-12,25H,13H2,1H3,(H,24,27).
What are the key properties of 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 418.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 24987792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).