3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C226H168N34O23S — CID 158806707

IUPAC3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CCCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.CCOC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.COC(=O)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(O)/C=C/c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.Oc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ncn[nH]4)c3c2)cc1
InChIInChI=1S/C28H20N4O3S.C27H23N3O3.C22H16N4O.C21H15N5O.C20H14N2O3.C19H15N3O3.C19H14N2O3.C18H13N3O2.C18H13N3O.C17H13N3O.C17H12N2O2/c33-36(34,23-11-5-2-6-12-23)32-19-21(17-31-32)26-18-30-28-25(26)15-20(16-29-28)24-13-7-8-14-27(24)35-22-9-3-1-4-10-22;1-2-12-28-27(31)25-14-19(17-32-25)23-16-30-26-22(23)13-18(15-29-26)21-10-6-7-11-24(21)33-20-8-4-3-5-9-20;1-2-6-17(7-3-1)27-21-9-5-4-8-18(21)15-10-19-20(16-12-25-26-13-16)14-24-22(19)23-11-15;1-2-6-15(7-3-1)27-19-9-5-4-8-16(19)14-10-17-18(21-24-13-25-26-21)12-23-20(17)22-11-14;23-19(24)6-5-13-3-1-2-4-16(13)15-9-17-18(14-7-8-25-12-14)11-22-20(17)21-10-15;1-2-24-19(23)14-6-4-3-5-13(14)12-7-15-16(17-10-20-11-25-17)9-22-18(15)21-8-12;1-23-19(22)15-5-3-2-4-14(15)13-8-16-17(12-6-7-24-11-12)10-21-18(16)20-9-13;1-11(22)13-4-2-3-5-14(13)12-6-15-16(17-9-19-10-23-17)8-21-18(15)20-7-12;1-2-12-5-3-4-6-14(12)13-7-15-16(17-10-19-11-22-17)9-21-18(15)20-8-13;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-20-17(14)19-8-12;20-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-19-17(14)18-8-12/h1-19H,(H,29,30);3-11,13-17H,2,12H2,1H3,(H,28,31)(H,29,30);1-14H,(H,23,24)(H,25,26);1-13H,(H,22,23)(H,24,25,26);1-12H,(H,21,22)(H,23,24);3-11H,2H2,1H3,(H,21,22);2-11H,1H3,(H,20,21);2-10H,1H3,(H,20,21);2-11H,1H2,(H,20,21);1-10H,18H2,(H,19,20);1-10,20H,(H,18,19)/b;;;;6-5+;;;;;;
InChIKeyIUDXBRYPSHKICC-VIKXHAHBSA-N
MW3760.11 g/mol
LogP52.57
Rot. Bonds42

About 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158806707) has the molecular formula C226H168N34O23S and a molecular weight of 3760.11 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID158806707
Molecular FormulaC226H168N34O23S
Molecular Weight3760.11 g/mol
Exact Mass3757.27
IUPAC Name3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CCCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.CCOC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.COC(=O)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(O)/C=C/c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.Oc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ncn[nH]4)c3c2)cc1
InChIInChI=1S/C28H20N4O3S.C27H23N3O3.C22H16N4O.C21H15N5O.C20H14N2O3.C19H15N3O3.C19H14N2O3.C18H13N3O2.C18H13N3O.C17H13N3O.C17H12N2O2/c33-36(34,23-11-5-2-6-12-23)32-19-21(17-31-32)26-18-30-28-25(26)15-20(16-29-28)24-13-7-8-14-27(24)35-22-9-3-1-4-10-22;1-2-12-28-27(31)25-14-19(17-32-25)23-16-30-26-22(23)13-18(15-29-26)21-10-6-7-11-24(21)33-20-8-4-3-5-9-20;1-2-6-17(7-3-1)27-21-9-5-4-8-18(21)15-10-19-20(16-12-25-26-13-16)14-24-22(19)23-11-15;1-2-6-15(7-3-1)27-19-9-5-4-8-16(19)14-10-17-18(21-24-13-25-26-21)12-23-20(17)22-11-14;23-19(24)6-5-13-3-1-2-4-16(13)15-9-17-18(14-7-8-25-12-14)11-22-20(17)21-10-15;1-2-24-19(23)14-6-4-3-5-13(14)12-7-15-16(17-10-20-11-25-17)9-22-18(15)21-8-12;1-23-19(22)15-5-3-2-4-14(15)13-8-16-17(12-6-7-24-11-12)10-21-18(16)20-9-13;1-11(22)13-4-2-3-5-14(13)12-6-15-16(17-9-19-10-23-17)8-21-18(15)20-7-12;1-2-12-5-3-4-6-14(12)13-7-15-16(17-10-19-11-22-17)9-21-18(15)20-8-13;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-20-17(14)19-8-12;20-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-19-17(14)18-8-12/h1-19H,(H,29,30);3-11,13-17H,2,12H2,1H3,(H,28,31)(H,29,30);1-14H,(H,23,24)(H,25,26);1-13H,(H,22,23)(H,24,25,26);1-12H,(H,21,22)(H,23,24);3-11H,2H2,1H3,(H,21,22);2-11H,1H3,(H,20,21);2-10H,1H3,(H,20,21);2-11H,1H2,(H,20,21);1-10H,18H2,(H,19,20);1-10,20H,(H,18,19)/b;;;;6-5+;;;;;;
InChIKeyIUDXBRYPSHKICC-VIKXHAHBSA-N
XLogP52.57
TPSA800.72 Ų
H-Bond Donors17
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms284
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003760.11
LogP ≤ 552.57
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1042

Analyze 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 158806707) is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is C=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.CCCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.CCOC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.COC(=O)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Nc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(O)/C=C/c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.Oc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ncn[nH]4)c3c2)cc1.
What is the InChIKey of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IUDXBRYPSHKICC-VIKXHAHBSA-N. The full InChI is InChI=1S/C28H20N4O3S.C27H23N3O3.C22H16N4O.C21H15N5O.C20H14N2O3.C19H15N3O3.C19H14N2O3.C18H13N3O2.C18H13N3O.C17H13N3O.C17H12N2O2/c33-36(34,23-11-5-2-6-12-23)32-19-21(17-31-32)26-18-30-28-25(26)15-20(16-29-28)24-13-7-8-14-27(24)35-22-9-3-1-4-10-22;1-2-12-28-27(31)25-14-19(17-32-25)23-16-30-26-22(23)13-18(15-29-26)21-10-6-7-11-24(21)33-20-8-4-3-5-9-20;1-2-6-17(7-3-1)27-21-9-5-4-8-18(21)15-10-19-20(16-12-25-26-13-16)14-24-22(19)23-11-15;1-2-6-15(7-3-1)27-19-9-5-4-8-16(19)14-10-17-18(21-24-13-25-26-21)12-23-20(17)22-11-14;23-19(24)6-5-13-3-1-2-4-16(13)15-9-17-18(14-7-8-25-12-14)11-22-20(17)21-10-15;1-2-24-19(23)14-6-4-3-5-13(14)12-7-15-16(17-10-20-11-25-17)9-22-18(15)21-8-12;1-23-19(22)15-5-3-2-4-14(15)13-8-16-17(12-6-7-24-11-12)10-21-18(16)20-9-13;1-11(22)13-4-2-3-5-14(13)12-6-15-16(17-9-19-10-23-17)8-21-18(15)20-7-12;1-2-12-5-3-4-6-14(12)13-7-15-16(17-10-19-11-22-17)9-21-18(15)20-8-13;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-20-17(14)19-8-12;20-16-4-2-1-3-13(16)12-7-14-15(11-5-6-21-10-11)9-19-17(14)18-8-12/h1-19H,(H,29,30);3-11,13-17H,2,12H2,1H3,(H,28,31)(H,29,30);1-14H,(H,23,24)(H,25,26);1-13H,(H,22,23)(H,24,25,26);1-12H,(H,21,22)(H,23,24);3-11H,2H2,1H3,(H,21,22);2-11H,1H3,(H,20,21);2-10H,1H3,(H,20,21);2-11H,1H2,(H,20,21);1-10H,18H2,(H,19,20);1-10,20H,(H,18,19)/b;;;;6-5+;;;;;;.
What are the key properties of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3760.11 g/mol, XLogP of 52.57, 42 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;ethyl 2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol;(E)-3-[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoic acid;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;5-(2-phenoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158806707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).