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

C25H23N5O4S — CID 24987791

IUPAC5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C25H23N5O4S/c31-25-21-6-1-17(15-18(21)16-27-25)23-8-7-22(24-26-9-10-30(23)24)28-19-2-4-20(5-3-19)35(32,33)29-11-13-34-14-12-29/h1-10,15,28H,11-14,16H2,(H,27,31)
InChIKeyATGOOZPDBDPJPE-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.01
Rot. Bonds5

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

5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 24987791) has the molecular formula C25H23N5O4S and a molecular weight of 489.56 g/mol. Its IUPAC name is 5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID24987791
Molecular FormulaC25H23N5O4S
Molecular Weight489.56 g/mol
Exact Mass489.15
IUPAC Name5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C25H23N5O4S/c31-25-21-6-1-17(15-18(21)16-27-25)23-8-7-22(24-26-9-10-30(23)24)28-19-2-4-20(5-3-19)35(32,33)29-11-13-34-14-12-29/h1-10,15,28H,11-14,16H2,(H,27,31)
InChIKeyATGOOZPDBDPJPE-UHFFFAOYSA-N
XLogP3.01
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 24987791) is 5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is ATGOOZPDBDPJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4S/c31-25-21-6-1-17(15-18(21)16-27-25)23-8-7-22(24-26-9-10-30(23)24)28-19-2-4-20(5-3-19)35(32,33)29-11-13-34-14-12-29/h1-10,15,28H,11-14,16H2,(H,27,31).
What are the key properties of 5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 489.56 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 24987791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).