5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C24H22N6O4S — CID 58046201

IUPAC5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCOCC5)nc4)c4nccn34)ccc21
InChIInChI=1S/C24H22N6O4S/c31-24-19-3-1-16(13-17(19)14-27-24)21-5-4-20(23-25-7-8-30(21)23)28-18-2-6-22(26-15-18)35(32,33)29-9-11-34-12-10-29/h1-8,13,15,28H,9-12,14H2,(H,27,31)
InChIKeyFRHXHDPBJAMXSG-UHFFFAOYSA-N
MW490.55 g/mol
LogP2.40
Rot. Bonds5

About 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 58046201) has the molecular formula C24H22N6O4S and a molecular weight of 490.55 g/mol. Its IUPAC name is 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID58046201
Molecular FormulaC24H22N6O4S
Molecular Weight490.55 g/mol
Exact Mass490.14
IUPAC Name5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCOCC5)nc4)c4nccn34)ccc21
InChIInChI=1S/C24H22N6O4S/c31-24-19-3-1-16(13-17(19)14-27-24)21-5-4-20(23-25-7-8-30(21)23)28-18-2-6-22(26-15-18)35(32,33)29-9-11-34-12-10-29/h1-8,13,15,28H,9-12,14H2,(H,27,31)
InChIKeyFRHXHDPBJAMXSG-UHFFFAOYSA-N
XLogP2.40
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123850246
ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 143681962
5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870535
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 24988892
5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 24988521
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
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-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 59023000
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-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 25115382
5-(2-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(4-oxopentyl)benzamide;4-[8-[4-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 160534978
4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 159943943

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 58046201) is 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCOCC5)nc4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is FRHXHDPBJAMXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4S/c31-24-19-3-1-16(13-17(19)14-27-24)21-5-4-20(23-25-7-8-30(21)23)28-18-2-6-22(26-15-18)35(32,33)29-9-11-34-12-10-29/h1-8,13,15,28H,9-12,14H2,(H,27,31).
What are the key properties of 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 490.55 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 58046201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).