ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C30H37N5O — CID 123850246

IUPACethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC.CC.O=C1NCc2cc(-c3ccc(Nc4ccc(N5CCCCC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C26H25N5O.2C2H6/c32-26-22-9-4-18(16-19(22)17-28-26)24-11-10-23(25-27-12-15-31(24)25)29-20-5-7-21(8-6-20)30-13-2-1-3-14-30;2*1-2/h4-12,15-16,29H,1-3,13-14,17H2,(H,28,32);2*1-2H3
InChIKeyUCLUVAZQXFXDOD-UHFFFAOYSA-N
MW483.66 g/mol
LogP7.03
Rot. Bonds4

About ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 123850246) has the molecular formula C30H37N5O and a molecular weight of 483.66 g/mol. Its IUPAC name is ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Nameethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID123850246
Molecular FormulaC30H37N5O
Molecular Weight483.66 g/mol
Exact Mass483.30
IUPAC Nameethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC.CC.O=C1NCc2cc(-c3ccc(Nc4ccc(N5CCCCC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C26H25N5O.2C2H6/c32-26-22-9-4-18(16-19(22)17-28-26)24-11-10-23(25-27-12-15-31(24)25)29-20-5-7-21(8-6-20)30-13-2-1-3-14-30;2*1-2/h4-12,15-16,29H,1-3,13-14,17H2,(H,28,32);2*1-2H3
InChIKeyUCLUVAZQXFXDOD-UHFFFAOYSA-N
XLogP7.03
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 143681962
N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
CID 24988165
5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046113
5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 24988521
5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046201
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-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870535
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
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
5-[8-[4-(azonan-1-yliodanuidyl)anilino]imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 163821028
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
4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 71091658

Frequently Asked Questions

What is the IUPAC name of ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 123850246) is ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is CC.CC.O=C1NCc2cc(-c3ccc(Nc4ccc(N5CCCCC5)cc4)c4nccn34)ccc21.
What is the InChIKey of ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is UCLUVAZQXFXDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O.2C2H6/c32-26-22-9-4-18(16-19(22)17-28-26)24-11-10-23(25-27-12-15-31(24)25)29-20-5-7-21(8-6-20)30-13-2-1-3-14-30;2*1-2/h4-12,15-16,29H,1-3,13-14,17H2,(H,28,32);2*1-2H3.
What are the key properties of ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 483.66 g/mol, XLogP of 7.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 123850246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).