ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

C146H119I2N25O26S4 — CID 158688869

IUPACethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCCOC(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCOC(=O)c1cnc2[nH]cc(I)c2c1.CCOC(=O)c1cnc2[nH]ccc2c1.CCOC(=O)c1cnc2c(c1)c(-c1ccoc1)cn2OOSc1ccccc1.CCOC(=O)c1cnc2c(c1)c(-c1cn[nH]c1)cn2OOSc1ccccc1.CCOC(=O)c1cnc2c(c1)c(-c1cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1)cn2OOSc1ccccc1.CCOC(=O)c1cnc2c(c1)c(I)cn2OOSc1ccccc1.N#Cc1cnc2[nH]ccc2c1.O=C(O)c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C38H30N4O4S.C20H16N2O5S.C19H16N4O4S.C16H13IN2O4S.C13H12N4O2.C12H8N2O3.C10H9IN2O2.C10H10N2O2.C8H5N3/c1-2-44-37(43)28-23-34-35(27-41(36(34)39-24-28)45-46-47-33-21-13-6-14-22-33)29-25-40-42(26-29)38(30-15-7-3-8-16-30,31-17-9-4-10-18-31)32-19-11-5-12-20-32;1-2-25-20(23)15-10-17-18(14-8-9-24-13-14)12-22(19(17)21-11-15)26-27-28-16-6-4-3-5-7-16;1-2-25-19(24)13-8-16-17(14-10-21-22-11-14)12-23(18(16)20-9-13)26-27-28-15-6-4-3-5-7-15;1-2-21-16(20)11-8-13-14(17)10-19(15(13)18-9-11)22-23-24-12-6-4-3-5-7-12;1-2-19-13(18)8-3-10-11(9-5-16-17-6-9)7-15-12(10)14-4-8;15-12(16)8-3-9-10(7-1-2-17-6-7)5-14-11(9)13-4-8;1-2-15-10(14)6-3-7-8(11)5-13-9(7)12-4-6;1-2-14-10(13)8-5-7-3-4-11-9(7)12-6-8;9-4-6-3-7-1-2-10-8(7)11-5-6/h3-27H,2H2,1H3;3-13H,2H2,1H3;3-12H,2H2,1H3,(H,21,22);3-10H,2H2,1H3;3-7H,2H2,1H3,(H,14,15)(H,16,17);1-6H,(H,13,14)(H,15,16);3-5H,2H2,1H3,(H,12,13);3-6H,2H2,1H3,(H,11,12);1-3,5H,(H,10,11)
InChIKeyIGBWSQSAIRBCDB-UHFFFAOYSA-N
MW3021.78 g/mol
LogP30.25
Rot. Bonds40

About ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 158688869) has the molecular formula C146H119I2N25O26S4 and a molecular weight of 3021.78 g/mol. Its IUPAC name is ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Nameethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID158688869
Molecular FormulaC146H119I2N25O26S4
Molecular Weight3021.78 g/mol
Exact Mass3019.57
IUPAC Nameethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCCOC(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCOC(=O)c1cnc2[nH]cc(I)c2c1.CCOC(=O)c1cnc2[nH]ccc2c1.CCOC(=O)c1cnc2c(c1)c(-c1ccoc1)cn2OOSc1ccccc1.CCOC(=O)c1cnc2c(c1)c(-c1cn[nH]c1)cn2OOSc1ccccc1.CCOC(=O)c1cnc2c(c1)c(-c1cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1)cn2OOSc1ccccc1.CCOC(=O)c1cnc2c(c1)c(I)cn2OOSc1ccccc1.N#Cc1cnc2[nH]ccc2c1.O=C(O)c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C38H30N4O4S.C20H16N2O5S.C19H16N4O4S.C16H13IN2O4S.C13H12N4O2.C12H8N2O3.C10H9IN2O2.C10H10N2O2.C8H5N3/c1-2-44-37(43)28-23-34-35(27-41(36(34)39-24-28)45-46-47-33-21-13-6-14-22-33)29-25-40-42(26-29)38(30-15-7-3-8-16-30,31-17-9-4-10-18-31)32-19-11-5-12-20-32;1-2-25-20(23)15-10-17-18(14-8-9-24-13-14)12-22(19(17)21-11-15)26-27-28-16-6-4-3-5-7-16;1-2-25-19(24)13-8-16-17(14-10-21-22-11-14)12-23(18(16)20-9-13)26-27-28-15-6-4-3-5-7-15;1-2-21-16(20)11-8-13-14(17)10-19(15(13)18-9-11)22-23-24-12-6-4-3-5-7-12;1-2-19-13(18)8-3-10-11(9-5-16-17-6-9)7-15-12(10)14-4-8;15-12(16)8-3-9-10(7-1-2-17-6-7)5-14-11(9)13-4-8;1-2-15-10(14)6-3-7-8(11)5-13-9(7)12-4-6;1-2-14-10(13)8-5-7-3-4-11-9(7)12-6-8;9-4-6-3-7-1-2-10-8(7)11-5-6/h3-27H,2H2,1H3;3-13H,2H2,1H3;3-12H,2H2,1H3,(H,21,22);3-10H,2H2,1H3;3-7H,2H2,1H3,(H,14,15)(H,16,17);1-6H,(H,13,14)(H,15,16);3-5H,2H2,1H3,(H,12,13);3-6H,2H2,1H3,(H,11,12);1-3,5H,(H,10,11)
InChIKeyIGBWSQSAIRBCDB-UHFFFAOYSA-N
XLogP30.25
TPSA635.17 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds40
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003021.78
LogP ≤ 530.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carbonitrile;1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridine-5-carbonitrile;ethyl 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carboximidate;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-[5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-3-yl]benzoic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;hydrochloride
CID 159501521
potassium;sodium;zinc;benzenesulfonyl chloride;5-bromo-1H-pyrrolo[2,3-b]pyridine;ethane;ethanol;ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboximidate;formohydrazide;furan-3-ylboronic acid;3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carbonitrile;3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane;molecular iodine;palladium;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;tetrakis(triphenylphosphane);dicyanide;dihydroxide;dihydrochloride
CID 159851185

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 158688869) is ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is CCOC(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCOC(=O)c1cnc2[nH]cc(I)c2c1.CCOC(=O)c1cnc2[nH]ccc2c1.CCOC(=O)c1cnc2c(c1)c(-c1ccoc1)cn2OOSc1ccccc1.CCOC(=O)c1cnc2c(c1)c(-c1cn[nH]c1)cn2OOSc1ccccc1.CCOC(=O)c1cnc2c(c1)c(-c1cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1)cn2OOSc1ccccc1.CCOC(=O)c1cnc2c(c1)c(I)cn2OOSc1ccccc1.N#Cc1cnc2[nH]ccc2c1.O=C(O)c1cnc2[nH]cc(-c3ccoc3)c2c1.
What is the InChIKey of ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is IGBWSQSAIRBCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O4S.C20H16N2O5S.C19H16N4O4S.C16H13IN2O4S.C13H12N4O2.C12H8N2O3.C10H9IN2O2.C10H10N2O2.C8H5N3/c1-2-44-37(43)28-23-34-35(27-41(36(34)39-24-28)45-46-47-33-21-13-6-14-22-33)29-25-40-42(26-29)38(30-15-7-3-8-16-30,31-17-9-4-10-18-31)32-19-11-5-12-20-32;1-2-25-20(23)15-10-17-18(14-8-9-24-13-14)12-22(19(17)21-11-15)26-27-28-16-6-4-3-5-7-16;1-2-25-19(24)13-8-16-17(14-10-21-22-11-14)12-23(18(16)20-9-13)26-27-28-15-6-4-3-5-7-15;1-2-21-16(20)11-8-13-14(17)10-19(15(13)18-9-11)22-23-24-12-6-4-3-5-7-12;1-2-19-13(18)8-3-10-11(9-5-16-17-6-9)7-15-12(10)14-4-8;15-12(16)8-3-9-10(7-1-2-17-6-7)5-14-11(9)13-4-8;1-2-15-10(14)6-3-7-8(11)5-13-9(7)12-4-6;1-2-14-10(13)8-5-7-3-4-11-9(7)12-6-8;9-4-6-3-7-1-2-10-8(7)11-5-6/h3-27H,2H2,1H3;3-13H,2H2,1H3;3-12H,2H2,1H3,(H,21,22);3-10H,2H2,1H3;3-7H,2H2,1H3,(H,14,15)(H,16,17);1-6H,(H,13,14)(H,15,16);3-5H,2H2,1H3,(H,12,13);3-6H,2H2,1H3,(H,11,12);1-3,5H,(H,10,11).
What are the key properties of ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 3021.78 g/mol, XLogP of 30.25, 40 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1-phenylsulfanylperoxy-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 158688869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).