5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol

C74H72ClFN14O6 — CID 161262196

IUPAC5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol
SMILESCCN1CCN(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2Cl)CC1.COc1cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccc1O.Oc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F
InChIInChI=1S/C27H27ClN6O.C24H24N4O3.C23H21FN4O2/c1-2-32-11-13-33(14-12-32)25-7-4-20(16-22(25)28)31-23-6-8-24(34-10-9-29-26(23)34)18-3-5-21-19(15-18)17-30-27(21)35;1-30-23-16-17(2-9-22(23)29)21-8-7-20(24-25-10-11-28(21)24)26-18-3-5-19(6-4-18)27-12-14-31-15-13-27;24-19-15-16(1-8-22(19)29)21-7-6-20(23-25-9-10-28(21)23)26-17-2-4-18(5-3-17)27-11-13-30-14-12-27/h3-10,15-16,31H,2,11-14,17H2,1H3,(H,30,35);2-11,16,26,29H,12-15H2,1H3;1-10,15,26,29H,11-14H2
InChIKeyVCRXUBDMBGXIBC-UHFFFAOYSA-N
MW1307.93 g/mol
LogP13.51
Rot. Bonds14

About 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol

5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol (PubChem CID 161262196) has the molecular formula C74H72ClFN14O6 and a molecular weight of 1307.93 g/mol. Its IUPAC name is 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol.

Molecular Properties

Compound Name5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol
PubChem CID161262196
Molecular FormulaC74H72ClFN14O6
Molecular Weight1307.93 g/mol
Exact Mass1306.54
IUPAC Name5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol
SMILESCCN1CCN(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2Cl)CC1.COc1cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccc1O.Oc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F
InChIInChI=1S/C27H27ClN6O.C24H24N4O3.C23H21FN4O2/c1-2-32-11-13-33(14-12-32)25-7-4-20(16-22(25)28)31-23-6-8-24(34-10-9-29-26(23)34)18-3-5-21-19(15-18)17-30-27(21)35;1-30-23-16-17(2-9-22(23)29)21-8-7-20(24-25-10-11-28(21)24)26-18-3-5-19(6-4-18)27-12-14-31-15-13-27;24-19-15-16(1-8-22(19)29)21-7-6-20(23-25-9-10-28(21)23)26-17-2-4-18(5-3-17)27-11-13-30-14-12-27/h3-10,15-16,31H,2,11-14,17H2,1H3,(H,30,35);2-11,16,26,29H,12-15H2,1H3;1-10,15,26,29H,11-14H2
InChIKeyVCRXUBDMBGXIBC-UHFFFAOYSA-N
XLogP13.51
TPSA198.20 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001307.93
LogP ≤ 513.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol with MolForge

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Related Compounds

3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid
CID 158220230
2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 157124425
4-[8-[(3-Chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;1-[3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone;3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 157385150
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]acetamide;6-(1,3-benzodioxol-5-yl)-N-cyclopropylimidazo[1,2-a]pyrazin-8-amine;6-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(2-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;6-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[8-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid;8-(4-methylpiperazin-1-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazine
CID 157872042
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(4-methylcyclohexyl)benzamide;5-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-methyl-2-pyridinyl)-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(6-methyl-2-pyridinyl)-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-morpholin-4-ylphenyl)-5-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 158040196
4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-2-methoxyphenol;4-[8-(ethylamino)imidazo[1,2-a]pyrazin-6-yl]-2-methoxyphenol;6-(3-methylphenyl)-N-propylimidazo[1,2-a]pyrazin-8-amine;N-(4-morpholin-4-ylphenyl)-6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 158209389
2-(4-Chlorophenyl)-3-(methoxymethyl)-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[(6-phenyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-phenyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 158777221
4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-N-(2-hydroxyethyl)benzamide;3-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]phenol;4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-6-yl]-2-methoxyphenol;3-[8-(ethylamino)imidazo[1,2-a]pyrazin-6-yl]phenol;N-phenyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 158893452
2-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-(4-methylpiperazin-1-yl)methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-methylimidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-[2-(3H-pyrrol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 159002011
3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one
CID 159156594
5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 159746330
[4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone;(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;4-[(6-phenyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 160004153

Frequently Asked Questions

What is the IUPAC name of 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol?
The IUPAC name of 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol (CID 161262196) is 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol.
What is the SMILES notation for 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol?
The canonical SMILES for 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol is CCN1CCN(c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2Cl)CC1.COc1cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)ccc1O.Oc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F.
What is the InChIKey of 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol?
The InChIKey is VCRXUBDMBGXIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O.C24H24N4O3.C23H21FN4O2/c1-2-32-11-13-33(14-12-32)25-7-4-20(16-22(25)28)31-23-6-8-24(34-10-9-29-26(23)34)18-3-5-21-19(15-18)17-30-27(21)35;1-30-23-16-17(2-9-22(23)29)21-8-7-20(24-25-10-11-28(21)24)26-18-3-5-19(6-4-18)27-12-14-31-15-13-27;24-19-15-16(1-8-22(19)29)21-7-6-20(23-25-9-10-28(21)23)26-17-2-4-18(5-3-17)27-11-13-30-14-12-27/h3-10,15-16,31H,2,11-14,17H2,1H3,(H,30,35);2-11,16,26,29H,12-15H2,1H3;1-10,15,26,29H,11-14H2.
What are the key properties of 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol?
5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol has a molecular weight of 1307.93 g/mol, XLogP of 13.51, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;2-fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;2-methoxy-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol is sourced from PubChem (CID 161262196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).