N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C172H139N29O10S4 — CID 159926466

IUPACN,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCCOc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CCc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cncs4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)cc1.COc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.COc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1coc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.c1csc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c1.c1csc(-c2cnc3[nH]cc(-c4nccs4)c3c2)c1
InChIInChI=1S/C19H16N2O2.C19H16N2O.C18H17N5.C18H16N4O.C18H16N4S.2C18H14N2O2.C15H11N3S.C15H10N2O2.C14H9N3S2/c1-2-23-18-6-4-3-5-15(18)14-9-16-17(13-7-8-22-12-13)11-21-19(16)20-10-14;1-2-13-3-5-14(6-4-13)16-9-17-18(15-7-8-22-12-15)11-21-19(17)20-10-16;1-23(2)15-5-3-12(4-6-15)13-7-16-17(14-9-21-22-10-14)11-20-18(16)19-8-13;1-22(2)14-5-3-12(4-6-14)13-9-15-16(18-19-7-8-23-18)11-21-17(15)20-10-13;1-22(2)14-5-3-12(4-6-14)13-7-15-16(17-10-19-11-23-17)9-21-18(15)20-8-13;1-21-15-4-2-3-12(7-15)14-8-16-17(13-5-6-22-11-13)10-20-18(16)19-9-14;1-21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-22-11-12)10-20-18(15)19-9-13;1-2-14(19-5-1)11-6-12-13(10-3-4-16-7-10)9-18-15(12)17-8-11;1-2-14(19-4-1)11-6-12-13(10-3-5-18-9-10)8-17-15(12)16-7-11;1-2-12(18-4-1)9-6-10-11(14-15-3-5-19-14)8-17-13(10)16-7-9/h3-12H,2H2,1H3,(H,20,21);3-12H,2H2,1H3,(H,20,21);3-11H,1-2H3,(H,19,20)(H,21,22);2*3-11H,1-2H3,(H,20,21);2*2-11H,1H3,(H,19,20);1-9,16H,(H,17,18);1-9H,(H,16,17);1-8H,(H,16,17)
InChIKeyNZBNNZKQUJUGSM-UHFFFAOYSA-N
MW2900.46 g/mol
LogP43.78
Rot. Bonds28

About N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 159926466) has the molecular formula C172H139N29O10S4 and a molecular weight of 2900.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID159926466
Molecular FormulaC172H139N29O10S4
Molecular Weight2900.46 g/mol
Exact Mass2898.01
IUPAC NameN,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCCOc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CCc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cncs4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)cc1.COc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.COc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1coc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.c1csc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c1.c1csc(-c2cnc3[nH]cc(-c4nccs4)c3c2)c1
InChIInChI=1S/C19H16N2O2.C19H16N2O.C18H17N5.C18H16N4O.C18H16N4S.2C18H14N2O2.C15H11N3S.C15H10N2O2.C14H9N3S2/c1-2-23-18-6-4-3-5-15(18)14-9-16-17(13-7-8-22-12-13)11-21-19(16)20-10-14;1-2-13-3-5-14(6-4-13)16-9-17-18(15-7-8-22-12-15)11-21-19(17)20-10-16;1-23(2)15-5-3-12(4-6-15)13-7-16-17(14-9-21-22-10-14)11-20-18(16)19-8-13;1-22(2)14-5-3-12(4-6-14)13-9-15-16(18-19-7-8-23-18)11-21-17(15)20-10-13;1-22(2)14-5-3-12(4-6-14)13-7-15-16(17-10-19-11-23-17)9-21-18(15)20-8-13;1-21-15-4-2-3-12(7-15)14-8-16-17(13-5-6-22-11-13)10-20-18(16)19-9-14;1-21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-22-11-12)10-20-18(15)19-9-13;1-2-14(19-5-1)11-6-12-13(10-3-4-16-7-10)9-18-15(12)17-8-11;1-2-14(19-4-1)11-6-12-13(10-3-5-18-9-10)8-17-15(12)16-7-11;1-2-12(18-4-1)9-6-10-11(14-15-3-5-19-14)8-17-13(10)16-7-9/h3-12H,2H2,1H3,(H,20,21);3-12H,2H2,1H3,(H,20,21);3-11H,1-2H3,(H,19,20)(H,21,22);2*3-11H,1-2H3,(H,20,21);2*2-11H,1H3,(H,19,20);1-9,16H,(H,17,18);1-9H,(H,16,17);1-8H,(H,16,17)
InChIKeyNZBNNZKQUJUGSM-UHFFFAOYSA-N
XLogP43.78
TPSA499.33 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002900.46
LogP ≤ 543.78
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
2-[2-[3-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-ethynylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 157761382
4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
CID 158964444
4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[1-(3-fluorophenyl)pyrazol-3-yl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
CID 159390868
CID 159678045
CID 159678045
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
1-benzofuran;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N,N-dimethylpyrazin-2-amine;3,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;bis(N-ethyl-N-methyl-1,3-thiazol-2-amine);3-ethylpyridine;2-fluoro-3-methylpyridine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1-hydroxypyridin-1-ium;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;2-methylpyrazine;N-methylpyridin-2-amine;bis(2-methylpyridine);bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-piperidin-1-yl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;5-(trifluoromethyl)-1H-pyrazole;4-(trifluoromethyl)pyridine
CID 160487232
CID 161331998
CID 161331998
CID 161434547
CID 161434547
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 164988898

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 159926466) is N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is CCOc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.CCc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cncs4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)cc1.COc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.COc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1coc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.c1csc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c1.c1csc(-c2cnc3[nH]cc(-c4nccs4)c3c2)c1.
What is the InChIKey of N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is NZBNNZKQUJUGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2.C19H16N2O.C18H17N5.C18H16N4O.C18H16N4S.2C18H14N2O2.C15H11N3S.C15H10N2O2.C14H9N3S2/c1-2-23-18-6-4-3-5-15(18)14-9-16-17(13-7-8-22-12-13)11-21-19(16)20-10-14;1-2-13-3-5-14(6-4-13)16-9-17-18(15-7-8-22-12-15)11-21-19(17)20-10-16;1-23(2)15-5-3-12(4-6-15)13-7-16-17(14-9-21-22-10-14)11-20-18(16)19-8-13;1-22(2)14-5-3-12(4-6-14)13-9-15-16(18-19-7-8-23-18)11-21-17(15)20-10-13;1-22(2)14-5-3-12(4-6-14)13-7-15-16(17-10-19-11-23-17)9-21-18(15)20-8-13;1-21-15-4-2-3-12(7-15)14-8-16-17(13-5-6-22-11-13)10-20-18(16)19-9-14;1-21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-22-11-12)10-20-18(15)19-9-13;1-2-14(19-5-1)11-6-12-13(10-3-4-16-7-10)9-18-15(12)17-8-11;1-2-14(19-4-1)11-6-12-13(10-3-5-18-9-10)8-17-15(12)16-7-11;1-2-12(18-4-1)9-6-10-11(14-15-3-5-19-14)8-17-13(10)16-7-9/h3-12H,2H2,1H3,(H,20,21);3-12H,2H2,1H3,(H,20,21);3-11H,1-2H3,(H,19,20)(H,21,22);2*3-11H,1-2H3,(H,20,21);2*2-11H,1H3,(H,19,20);1-9,16H,(H,17,18);1-9H,(H,16,17);1-8H,(H,16,17).
What are the key properties of N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 2900.46 g/mol, XLogP of 43.78, 28 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;5-(2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(furan-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 159926466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).