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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

C107H77F2N17O7S2 — CID 161029246

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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1.Fc1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c(F)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cnco4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4nccs4)c3c2)cc1
InChIInChI=1S/C24H21N5O2S.C23H17N3O.C22H15N3O2.C22H15N3OS.C16H9F2N3O/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;1-2-6-18(7-3-1)27-22-9-5-4-8-19(22)17-12-20-21(16-10-11-24-13-16)15-26-23(20)25-14-17;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)15-12-18-19(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/h3-16H,1-2H3,(H,25,26);1-15,24H,(H,25,26);2*1-14H,(H,24,25);1-8H,(H,20,21)
InChIKeyTZJQJMGEVOWNMF-UHFFFAOYSA-N
MW1815.03 g/mol
LogP26.40
Rot. Bonds19

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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161029246) has the molecular formula C107H77F2N17O7S2 and a molecular weight of 1815.03 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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID161029246
Molecular FormulaC107H77F2N17O7S2
Molecular Weight1815.03 g/mol
Exact Mass1813.56
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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1.Fc1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c(F)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cnco4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4nccs4)c3c2)cc1
InChIInChI=1S/C24H21N5O2S.C23H17N3O.C22H15N3O2.C22H15N3OS.C16H9F2N3O/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;1-2-6-18(7-3-1)27-22-9-5-4-8-19(22)17-12-20-21(16-10-11-24-13-16)15-26-23(20)25-14-17;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)15-12-18-19(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/h3-16H,1-2H3,(H,25,26);1-15,24H,(H,25,26);2*1-14H,(H,24,25);1-8H,(H,20,21)
InChIKeyTZJQJMGEVOWNMF-UHFFFAOYSA-N
XLogP26.40
TPSA307.03 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001815.03
LogP ≤ 526.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(4-methylpiperazin-1-yl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 157106767
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
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
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(4-methylpiperazin-1-yl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 160852676
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
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
1-benzofuran;1-benzothiophene;furo[2,3-b]pyridine;furo[2,3-c]pyridazine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;bis(imidazo[1,2-a]pyrazine);imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 157053356
CID 157053806
CID 157053806
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157132695
bis(1-benzofuran);bis(1-benzothiophene);bis(1,3-dihydroindol-2-one);1H-imidazole;bis(1H-indazole);bis(1H-indole);1-methylpiperidine;icosakis(2-methylpropane);1,3-oxazole;pyridine;1H-pyridin-2-one;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157160092
tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-(2-methylphenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-[[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]benzoic acid
CID 157173611
methane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
CID 157217197

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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 161029246) 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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1.Fc1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c(F)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cnco4)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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is TZJQJMGEVOWNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S.C23H17N3O.C22H15N3O2.C22H15N3OS.C16H9F2N3O/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;1-2-6-18(7-3-1)27-22-9-5-4-8-19(22)17-12-20-21(16-10-11-24-13-16)15-26-23(20)25-14-17;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)15-12-18-19(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/h3-16H,1-2H3,(H,25,26);1-15,24H,(H,25,26);2*1-14H,(H,24,25);1-8H,(H,20,21).
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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1815.03 g/mol, XLogP of 26.40, 19 rotatable bonds, 6 hydrogen bond donors, and 19 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;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-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161029246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).