5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

C208H163F2N27O14 — CID 159324308

IUPAC5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c(F)c1.N#Cc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=Cc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.OCc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCCCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCNCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCOCC2)c1.c1ccc(COc2ccccc2-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.c1ccc2c(c1)oc1c(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cccc12
InChIInChI=1S/C24H18N2O2.C23H23N3O.C23H17N3O.C23H14N2O2.C22H22N4O.C22H21N3O2.C18H11N3O.C18H14N2O2.C18H12N2O2.C17H11F2N3/c1-2-6-17(7-3-1)15-28-23-9-5-4-8-20(23)19-12-21-22(18-10-11-27-16-18)14-26-24(21)25-13-19;1-4-9-26(10-5-1)15-17-6-2-3-7-20(17)19-12-21-22(18-8-11-27-16-18)14-25-23(21)24-13-19;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;1-2-7-21-17(4-1)18-6-3-5-16(22(18)27-21)15-10-19-20(14-8-9-26-13-14)12-25-23(19)24-11-15;1-2-4-19(16(3-1)14-26-8-6-23-7-9-26)18-11-20-21(17-5-10-27-15-17)13-25-22(20)24-12-18;1-2-4-19(16(3-1)14-25-6-9-26-10-7-25)18-11-20-21(17-5-8-27-15-17)13-24-22(20)23-12-18;19-8-12-3-1-2-4-15(12)14-7-16-17(13-5-6-22-11-13)10-21-18(16)20-9-14;2*21-10-12-3-1-2-4-15(12)14-7-16-17(13-5-6-22-11-13)9-20-18(16)19-8-14;18-12-1-2-13(16(19)6-12)11-5-14-15(10-3-4-20-7-10)9-22-17(14)21-8-11/h1-14,16H,15H2,(H,25,26);2-3,6-8,11-14,16H,1,4-5,9-10,15H2,(H,24,25);1-15,24H,(H,25,26);1-13H,(H,24,25);1-5,10-13,15,23H,6-9,14H2,(H,24,25);1-5,8,11-13,15H,6-7,9-10,14H2,(H,23,24);1-7,9-11H,(H,20,21);1-9,11,21H,10H2,(H,19,20);1-11H,(H,19,20);1-9,20H,(H,21,22)
InChIKeyLEDWPPADRFWRLR-UHFFFAOYSA-N
MW3302.76 g/mol
LogP49.32
Rot. Bonds33

About 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159324308) has the molecular formula C208H163F2N27O14 and a molecular weight of 3302.76 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID159324308
Molecular FormulaC208H163F2N27O14
Molecular Weight3302.76 g/mol
Exact Mass3300.28
IUPAC Name5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c(F)c1.N#Cc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=Cc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.OCc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCCCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCNCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCOCC2)c1.c1ccc(COc2ccccc2-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.c1ccc2c(c1)oc1c(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cccc12
InChIInChI=1S/C24H18N2O2.C23H23N3O.C23H17N3O.C23H14N2O2.C22H22N4O.C22H21N3O2.C18H11N3O.C18H14N2O2.C18H12N2O2.C17H11F2N3/c1-2-6-17(7-3-1)15-28-23-9-5-4-8-20(23)19-12-21-22(18-10-11-27-16-18)14-26-24(21)25-13-19;1-4-9-26(10-5-1)15-17-6-2-3-7-20(17)19-12-21-22(18-8-11-27-16-18)14-25-23(21)24-13-19;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;1-2-7-21-17(4-1)18-6-3-5-16(22(18)27-21)15-10-19-20(14-8-9-26-13-14)12-25-23(19)24-11-15;1-2-4-19(16(3-1)14-26-8-6-23-7-9-26)18-11-20-21(17-5-10-27-15-17)13-25-22(20)24-12-18;1-2-4-19(16(3-1)14-25-6-9-26-10-7-25)18-11-20-21(17-5-8-27-15-17)13-24-22(20)23-12-18;19-8-12-3-1-2-4-15(12)14-7-16-17(13-5-6-22-11-13)10-21-18(16)20-9-14;2*21-10-12-3-1-2-4-15(12)14-7-16-17(13-5-6-22-11-13)9-20-18(16)19-8-14;18-12-1-2-13(16(19)6-12)11-5-14-15(10-3-4-20-7-10)9-22-17(14)21-8-11/h1-14,16H,15H2,(H,25,26);2-3,6-8,11-14,16H,1,4-5,9-10,15H2,(H,24,25);1-15,24H,(H,25,26);1-13H,(H,24,25);1-5,10-13,15,23H,6-9,14H2,(H,24,25);1-5,8,11-13,15H,6-7,9-10,14H2,(H,23,24);1-7,9-11H,(H,20,21);1-9,11,21H,10H2,(H,19,20);1-11H,(H,19,20);1-9,20H,(H,21,22)
InChIKeyLEDWPPADRFWRLR-UHFFFAOYSA-N
XLogP49.32
TPSA547.17 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds33
Heavy Atoms251
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003302.76
LogP ≤ 549.32
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 159324308) is 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c(F)c1.N#Cc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=Cc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.OCc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCCCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCNCC2)c1.c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c(CN2CCOCC2)c1.c1ccc(COc2ccccc2-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.c1ccc2c(c1)oc1c(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cccc12.
What is the InChIKey of 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LEDWPPADRFWRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2.C23H23N3O.C23H17N3O.C23H14N2O2.C22H22N4O.C22H21N3O2.C18H11N3O.C18H14N2O2.C18H12N2O2.C17H11F2N3/c1-2-6-17(7-3-1)15-28-23-9-5-4-8-20(23)19-12-21-22(18-10-11-27-16-18)14-26-24(21)25-13-19;1-4-9-26(10-5-1)15-17-6-2-3-7-20(17)19-12-21-22(18-8-11-27-16-18)14-25-23(21)24-13-19;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;1-2-7-21-17(4-1)18-6-3-5-16(22(18)27-21)15-10-19-20(14-8-9-26-13-14)12-25-23(19)24-11-15;1-2-4-19(16(3-1)14-26-8-6-23-7-9-26)18-11-20-21(17-5-10-27-15-17)13-25-22(20)24-12-18;1-2-4-19(16(3-1)14-25-6-9-26-10-7-25)18-11-20-21(17-5-8-27-15-17)13-24-22(20)23-12-18;19-8-12-3-1-2-4-15(12)14-7-16-17(13-5-6-22-11-13)10-21-18(16)20-9-14;2*21-10-12-3-1-2-4-15(12)14-7-16-17(13-5-6-22-11-13)9-20-18(16)19-8-14;18-12-1-2-13(16(19)6-12)11-5-14-15(10-3-4-20-7-10)9-22-17(14)21-8-11/h1-14,16H,15H2,(H,25,26);2-3,6-8,11-14,16H,1,4-5,9-10,15H2,(H,24,25);1-15,24H,(H,25,26);1-13H,(H,24,25);1-5,10-13,15,23H,6-9,14H2,(H,24,25);1-5,8,11-13,15H,6-7,9-10,14H2,(H,23,24);1-7,9-11H,(H,20,21);1-9,11,21H,10H2,(H,19,20);1-11H,(H,19,20);1-9,20H,(H,21,22).
What are the key properties of 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3302.76 g/mol, XLogP of 49.32, 33 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;5-(2-phenoxyphenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159324308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).