4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

C216H154F2N30O17S3 — CID 162030217

IUPAC4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1.Cc1ncoc1-c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cc1noc(C)c1-c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.Fc1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c(F)c1.O=Cc1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)nc1.c1ccc(Oc2ccc(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cc2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cnco4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cncs4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4nccs4)c3c2)cc1
InChIInChI=1S/C24H21N5O2S.C24H19N3O2.C24H16N2O3.C23H17N3O2.C23H16N2O2.C22H15N3O2.2C22H15N3OS.C16H9F2N3O.C16H11N3O/c1-28(2)20-10-8-17(9-11-20)18-12-22-23(15-26-24(22)25-13-18)19-14-27-29(16-19)32(30,31)21-6-4-3-5-7-21;1-15-23(16(2)29-27-15)21-14-26-24-20(21)12-17(13-25-24)19-10-6-7-11-22(19)28-18-8-4-3-5-9-18;27-14-19-10-17(15-28-19)22-13-26-24-21(22)11-16(12-25-24)20-8-4-5-9-23(20)29-18-6-2-1-3-7-18;1-15-22(27-14-26-15)20-13-25-23-19(20)11-16(12-24-23)18-9-5-6-10-21(18)28-17-7-3-2-4-8-17;1-2-4-19(5-3-1)27-20-8-6-16(7-9-20)18-12-21-22(17-10-11-26-15-17)14-25-23(21)24-13-18;1-2-6-16(7-3-1)27-20-9-5-4-8-17(20)15-10-18-19(21-13-23-14-26-21)12-25-22(18)24-11-15;1-2-6-16(7-3-1)26-20-9-5-4-8-17(20)15-10-18-19(21-13-23-14-27-21)12-25-22(18)24-11-15;1-2-6-16(7-3-1)26-20-9-5-4-8-17(20)15-12-18-19(22-23-10-11-27-22)14-25-21(18)24-13-15;17-10-1-2-11(14(18)6-10)9-5-12-13(16-19-3-4-22-16)8-21-15(12)20-7-9;1-2-5-17-15(3-1)12-7-13-14(11-4-6-20-10-11)9-19-16(13)18-8-12/h3-16H,1-2H3,(H,25,26);3-14H,1-2H3,(H,25,26);1-15H,(H,25,26);2-14H,1H3,(H,24,25);1-15H,(H,24,25);3*1-14H,(H,24,25);1-8H,(H,20,21);1-10H,(H,18,19)
InChIKeyYVXOMMZZMGROEP-UHFFFAOYSA-N
MW3576.00 g/mol
LogP55.07
Rot. Bonds38

About 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (PubChem CID 162030217) has the molecular formula C216H154F2N30O17S3 and a molecular weight of 3576.00 g/mol. Its IUPAC name is 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
PubChem CID162030217
Molecular FormulaC216H154F2N30O17S3
Molecular Weight3576.00 g/mol
Exact Mass3573.12
IUPAC Name4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1.Cc1ncoc1-c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cc1noc(C)c1-c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.Fc1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c(F)c1.O=Cc1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)nc1.c1ccc(Oc2ccc(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cc2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cnco4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cncs4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4nccs4)c3c2)cc1
InChIInChI=1S/C24H21N5O2S.C24H19N3O2.C24H16N2O3.C23H17N3O2.C23H16N2O2.C22H15N3O2.2C22H15N3OS.C16H9F2N3O.C16H11N3O/c1-28(2)20-10-8-17(9-11-20)18-12-22-23(15-26-24(22)25-13-18)19-14-27-29(16-19)32(30,31)21-6-4-3-5-7-21;1-15-23(16(2)29-27-15)21-14-26-24-20(21)12-17(13-25-24)19-10-6-7-11-22(19)28-18-8-4-3-5-9-18;27-14-19-10-17(15-28-19)22-13-26-24-21(22)11-16(12-25-24)20-8-4-5-9-23(20)29-18-6-2-1-3-7-18;1-15-22(27-14-26-15)20-13-25-23-19(20)11-16(12-24-23)18-9-5-6-10-21(18)28-17-7-3-2-4-8-17;1-2-4-19(5-3-1)27-20-8-6-16(7-9-20)18-12-21-22(17-10-11-26-15-17)14-25-23(21)24-13-18;1-2-6-16(7-3-1)27-20-9-5-4-8-17(20)15-10-18-19(21-13-23-14-26-21)12-25-22(18)24-11-15;1-2-6-16(7-3-1)26-20-9-5-4-8-17(20)15-10-18-19(21-13-23-14-27-21)12-25-22(18)24-11-15;1-2-6-16(7-3-1)26-20-9-5-4-8-17(20)15-12-18-19(22-23-10-11-27-22)14-25-21(18)24-13-15;17-10-1-2-11(14(18)6-10)9-5-12-13(16-19-3-4-22-16)8-21-15(12)20-7-9;1-2-5-17-15(3-1)12-7-13-14(11-4-6-20-10-11)9-19-16(13)18-8-12/h3-16H,1-2H3,(H,25,26);3-14H,1-2H3,(H,25,26);1-15H,(H,25,26);2-14H,1H3,(H,24,25);1-15H,(H,24,25);3*1-14H,(H,24,25);1-8H,(H,20,21);1-10H,(H,18,19)
InChIKeyYVXOMMZZMGROEP-UHFFFAOYSA-N
XLogP55.07
TPSA605.89 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds38
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003576.00
LogP ≤ 555.07
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole with MolForge

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Related Compounds

5-[4-(1,1-Difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 158937785
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
CID 159998957
CID 159998957
CID 160278972
CID 160278972
1-benzofuran;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;bis(N-ethyl-N-methyl-1,3-thiazol-2-amine);2-fluoro-3-methylpyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1-hydroxypyridin-1-ium;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;bis(2-methylpyridine);tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;1-propylpyrazole;pyridin-2-amine;1H-pyrido[3,4-b][1,4]thiazine;4-(trifluoromethyl)pyridine
CID 160409954
Methane;5-[5-methyl-1-[[3-(3-methylidenepiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;2-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;2-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 160964741
CID 161331998
CID 161331998
CID 161434547
CID 161434547
5-[4-(1,1-Difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 161671415
4-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-[4-[4-[4-[3-[4-[5-[1-[5-[5-[4-[3-[4-[5-(1H-indol-2-yl)-3H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]oxadiazol-4-yl]tetrazol-5-yl]-1H-triazol-4-yl]pyrimidin-2-yl]-2-pyridinyl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]-5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 91229188
1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)
CID 157087421
1H-benzimidazole;1-benzofuran;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1-benzothiophene 1,1-dioxide;1-benzothiophene 1-oxide;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;cyclopenta-1,3-diene;furan;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-indole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;thiophene 1,1-dioxide;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;4H-triazole
CID 157138688

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (CID 162030217) is 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1.Cc1ncoc1-c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cc1noc(C)c1-c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.Fc1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c(F)c1.O=Cc1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)nc1.c1ccc(Oc2ccc(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cc2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cnco4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cncs4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4nccs4)c3c2)cc1.
What is the InChIKey of 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The InChIKey is YVXOMMZZMGROEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S.C24H19N3O2.C24H16N2O3.C23H17N3O2.C23H16N2O2.C22H15N3O2.2C22H15N3OS.C16H9F2N3O.C16H11N3O/c1-28(2)20-10-8-17(9-11-20)18-12-22-23(15-26-24(22)25-13-18)19-14-27-29(16-19)32(30,31)21-6-4-3-5-7-21;1-15-23(16(2)29-27-15)21-14-26-24-20(21)12-17(13-25-24)19-10-6-7-11-22(19)28-18-8-4-3-5-9-18;27-14-19-10-17(15-28-19)22-13-26-24-21(22)11-16(12-25-24)20-8-4-5-9-23(20)29-18-6-2-1-3-7-18;1-15-22(27-14-26-15)20-13-25-23-19(20)11-16(12-24-23)18-9-5-6-10-21(18)28-17-7-3-2-4-8-17;1-2-4-19(5-3-1)27-20-8-6-16(7-9-20)18-12-21-22(17-10-11-26-15-17)14-25-23(21)24-13-18;1-2-6-16(7-3-1)27-20-9-5-4-8-17(20)15-10-18-19(21-13-23-14-26-21)12-25-22(18)24-11-15;1-2-6-16(7-3-1)26-20-9-5-4-8-17(20)15-10-18-19(21-13-23-14-27-21)12-25-22(18)24-11-15;1-2-6-16(7-3-1)26-20-9-5-4-8-17(20)15-12-18-19(22-23-10-11-27-22)14-25-21(18)24-13-15;17-10-1-2-11(14(18)6-10)9-5-12-13(16-19-3-4-22-16)8-21-15(12)20-7-9;1-2-5-17-15(3-1)12-7-13-14(11-4-6-20-10-11)9-19-16(13)18-8-12/h3-16H,1-2H3,(H,25,26);3-14H,1-2H3,(H,25,26);1-15H,(H,25,26);2-14H,1H3,(H,24,25);1-15H,(H,24,25);3*1-14H,(H,24,25);1-8H,(H,20,21);1-10H,(H,18,19).
What are the key properties of 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole has a molecular weight of 3576.00 g/mol, XLogP of 55.07, 38 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;3,5-dimethyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;3-(furan-3-yl)-5-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-methyl-5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;2-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 162030217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).