(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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C100H72N16O10 — CID 158286226

IUPAC(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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.COC(=O)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(O)/C=C/c1ccccc1-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/C22H16N4O.C21H15N5O.C20H14N2O3.C19H14N2O3.C18H13N3O2/c1-2-6-17(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;1-23-19(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/h1-14H,(H,23,24)(H,25,26);1-13H,(H,22,23)(H,24,25,26);1-12H,(H,21,22)(H,23,24);2-11H,1H3,(H,20,21);2-10H,1H3,(H,20,21)/b;;6-5+;;
InChIKeyGKUTXFGQGZWGLL-QZMYATHESA-N
MW1657.78 g/mol
LogP23.17
Rot. Bonds18

About (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

(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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158286226) has the molecular formula C100H72N16O10 and a molecular weight of 1657.78 g/mol. Its IUPAC name is (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name(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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID158286226
Molecular FormulaC100H72N16O10
Molecular Weight1657.78 g/mol
Exact Mass1656.56
IUPAC Name(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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.COC(=O)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(O)/C=C/c1ccccc1-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/C22H16N4O.C21H15N5O.C20H14N2O3.C19H14N2O3.C18H13N3O2/c1-2-6-17(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;1-23-19(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/h1-14H,(H,23,24)(H,25,26);1-13H,(H,22,23)(H,24,25,26);1-12H,(H,21,22)(H,23,24);2-11H,1H3,(H,20,21);2-10H,1H3,(H,20,21)/b;;6-5+;;
InChIKeyGKUTXFGQGZWGLL-QZMYATHESA-N
XLogP23.17
TPSA365.09 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001657.78
LogP ≤ 523.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;5-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2H-imidazole-4-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]furo[2,3-c]pyridine-5-carboxamide
CID 158232511
2-[3-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;N-(furan-2-ylmethyl)-N-methyl-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-(2-hydroxyethyl)-N-methyl-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-(4-methylcyclohexyl)-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]-N-(3-piperidin-1-ylpropyl)benzamide;3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;2-[3-(piperidine-1-carbonyl)phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 160444620
6-propan-2-ylfuro[3,2-b]pyridine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;4-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine
CID 157104031
2-[7-Amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-3-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-phenylpropanoic acid;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-phenylpropanoate;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-3-phenylpropanoate;methyl 2-bromo-3-phenylpropanoate
CID 157143181
2-[7-Amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-(2-methoxyphenyl)acetic acid;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-(2-methoxyphenyl)acetate;methyl 2-bromo-2-(2-methoxyphenyl)acetate
CID 157162141
1-benzofuran-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(5-methylpyrazin-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyrazin-2-ylmethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1H-pyrazolo[4,3-b]pyridin-3-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridin-3-ylmethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone
CID 157173523
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 157328394
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157370262
2-[7-Amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]piperazin-1-yl]-2-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]piperazine-1-carboxylate;methane;1-methyl-4-[3-(4-piperazin-1-ylphenoxy)propyl]piperazine;3-(4-methylpiperazin-1-yl)propan-1-ol
CID 157487187
2-(2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylfuran-3-yl)-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-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylbenzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 157581996
2-[7-Amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-3-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-3-phenylpropanoic acid;1-[4-(2-methoxyethoxy)phenyl]piperazine;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-3-phenylpropanoate
CID 157821012
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;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide
CID 158141858

Frequently Asked Questions

What is the IUPAC name of (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 158286226) is (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is CC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.COC(=O)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(O)/C=C/c1ccccc1-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 (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GKUTXFGQGZWGLL-QZMYATHESA-N. The full InChI is InChI=1S/C22H16N4O.C21H15N5O.C20H14N2O3.C19H14N2O3.C18H13N3O2/c1-2-6-17(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;1-23-19(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/h1-14H,(H,23,24)(H,25,26);1-13H,(H,22,23)(H,24,25,26);1-12H,(H,21,22)(H,23,24);2-11H,1H3,(H,20,21);2-10H,1H3,(H,20,21)/b;;6-5+;;.
What are the key properties of (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
(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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1657.78 g/mol, XLogP of 23.17, 18 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (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;5-(2-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158286226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).