5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C76H78N16O4S — CID 158175037

IUPAC5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4ccc5[nH]ccc5c4)n4ccnc34)cc2)CC1.CCCN1CCN(c2ccc(Nc3ccc(-c4ccnc(OC)c4)n4ccnc34)cc2)CC1.CS(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C28H30N6.C26H30N6O.C22H18N4O3S/c1-20(2)32-15-17-33(18-16-32)24-6-4-23(5-7-24)31-26-9-10-27(34-14-13-30-28(26)34)22-3-8-25-21(19-22)11-12-29-25;1-3-13-30-15-17-31(18-16-30)22-6-4-21(5-7-22)29-23-8-9-24(32-14-12-28-26(23)32)20-10-11-27-25(19-20)33-2;1-30(28,29)17-5-3-16(4-6-17)25-19-8-9-20(26-11-10-23-21(19)26)14-2-7-18-15(12-14)13-24-22(18)27/h3-14,19-20,29,31H,15-18H2,1-2H3;4-12,14,19,29H,3,13,15-18H2,1-2H3;2-12,25H,13H2,1H3,(H,24,27)
InChIKeyFXXBZAJPBLLWBF-UHFFFAOYSA-N
MW1311.63 g/mol
LogP13.83
Rot. Bonds16

About 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 158175037) has the molecular formula C76H78N16O4S and a molecular weight of 1311.63 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID158175037
Molecular FormulaC76H78N16O4S
Molecular Weight1311.63 g/mol
Exact Mass1310.61
IUPAC Name5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4ccc5[nH]ccc5c4)n4ccnc34)cc2)CC1.CCCN1CCN(c2ccc(Nc3ccc(-c4ccnc(OC)c4)n4ccnc34)cc2)CC1.CS(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C28H30N6.C26H30N6O.C22H18N4O3S/c1-20(2)32-15-17-33(18-16-32)24-6-4-23(5-7-24)31-26-9-10-27(34-14-13-30-28(26)34)22-3-8-25-21(19-22)11-12-29-25;1-3-13-30-15-17-31(18-16-30)22-6-4-21(5-7-22)29-23-8-9-24(32-14-12-28-26(23)32)20-10-11-27-25(19-20)33-2;1-30(28,29)17-5-3-16(4-6-17)25-19-8-9-20(26-11-10-23-21(19)26)14-2-7-18-15(12-14)13-24-22(18)27/h3-14,19-20,29,31H,15-18H2,1-2H3;4-12,14,19,29H,3,13,15-18H2,1-2H3;2-12,25H,13H2,1H3,(H,24,27)
InChIKeyFXXBZAJPBLLWBF-UHFFFAOYSA-N
XLogP13.83
TPSA202.10 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001311.63
LogP ≤ 513.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

1-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(9-methyl-2-thiophen-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 161981800
3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;N-[3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[(4-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 162075253
5-[8-[4-(Benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 157156202
N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 157321467
7-(1-benzofuran-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 157493676
5-[8-(4-Methylsulfonylanilino)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;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 157752593
N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-(6-methoxy-3-pyridinyl)-6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-amine;4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
CID 158618956
7-(1-benzofuran-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1H-indol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 158666732
[3-(4-aminophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(2,5-dimethylphenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3,5-dimethylphenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-methoxyphenyl)-1,2-dimethylimidazo[1,2-a]pyridin-4-ium-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone;N-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanesulfonamide;[2-methyl-3-(3-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;iodide
CID 158730872
5-(6-amino-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;5-(2,4-dimethoxypyrimidin-5-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide
CID 158859892
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 159037236
7-(1-benzofuran-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1H-indol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 159052075

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 158175037) is 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is CC(C)N1CCN(c2ccc(Nc3ccc(-c4ccc5[nH]ccc5c4)n4ccnc34)cc2)CC1.CCCN1CCN(c2ccc(Nc3ccc(-c4ccnc(OC)c4)n4ccnc34)cc2)CC1.CS(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.
What is the InChIKey of 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is FXXBZAJPBLLWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6.C26H30N6O.C22H18N4O3S/c1-20(2)32-15-17-33(18-16-32)24-6-4-23(5-7-24)31-26-9-10-27(34-14-13-30-28(26)34)22-3-8-25-21(19-22)11-12-29-25;1-3-13-30-15-17-31(18-16-30)22-6-4-21(5-7-22)29-23-8-9-24(32-14-12-28-26(23)32)20-10-11-27-25(19-20)33-2;1-30(28,29)17-5-3-16(4-6-17)25-19-8-9-20(26-11-10-23-21(19)26)14-2-7-18-15(12-14)13-24-22(18)27/h3-14,19-20,29,31H,15-18H2,1-2H3;4-12,14,19,29H,3,13,15-18H2,1-2H3;2-12,25H,13H2,1H3,(H,24,27).
What are the key properties of 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1311.63 g/mol, XLogP of 13.83, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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;5-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158175037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).