4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide

C25H24N6O3S — CID 24988892

IUPAC4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)NC5CCNC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C25H24N6O3S/c32-25-21-6-1-16(13-17(21)14-28-25)23-8-7-22(24-27-11-12-31(23)24)29-18-2-4-20(5-3-18)35(33,34)30-19-9-10-26-15-19/h1-8,11-13,19,26,29-30H,9-10,14-15H2,(H,28,32)
InChIKeyLKJLQKXOPPVUEH-UHFFFAOYSA-N
MW488.57 g/mol
LogP2.63
Rot. Bonds6

About 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide

4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 24988892) has the molecular formula C25H24N6O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID24988892
Molecular FormulaC25H24N6O3S
Molecular Weight488.57 g/mol
Exact Mass488.16
IUPAC Name4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)NC5CCNC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C25H24N6O3S/c32-25-21-6-1-16(13-17(21)14-28-25)23-8-7-22(24-27-11-12-31(23)24)29-18-2-4-20(5-3-18)35(33,34)30-19-9-10-26-15-19/h1-8,11-13,19,26,29-30H,9-10,14-15H2,(H,28,32)
InChIKeyLKJLQKXOPPVUEH-UHFFFAOYSA-N
XLogP2.63
TPSA116.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide with MolForge

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Related Compounds

N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
CID 24988165
N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
CID 24988166
ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 143681962
ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123850246
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 67120782
5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046201
N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158991214
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 24990032
5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870535
5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 25115382
N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide
CID 129205364
N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 158164147

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide (CID 24988892) is 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide is O=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)NC5CCNC5)cc4)c4nccn34)ccc21.
What is the InChIKey of 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is LKJLQKXOPPVUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S/c32-25-21-6-1-16(13-17(21)14-28-25)23-8-7-22(24-27-11-12-31(23)24)29-18-2-4-20(5-3-18)35(33,34)30-19-9-10-26-15-19/h1-8,11-13,19,26,29-30H,9-10,14-15H2,(H,28,32).
What are the key properties of 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide?
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 488.57 g/mol, XLogP of 2.63, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 24988892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).