disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine

C116H114BBrN12Na2O14S2 — CID 158126332

IUPACdisodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC.CC.CC.CO.COc1ccc(-c2c[nH]c3ncccc23)cc1OC.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.O=CO[O-].OB(O)c1ccccc1.[H-].[Na+].[Na+].c1ccc(-c2c[nH]c3ncccc23)cc1.c1ccc(COc2ccc(-c3c[nH]c4ncccc34)cc2)cc1.c1ccc(COc2cccc(-c3c[nH]c4ncccc34)c2)cc1
InChIInChI=1S/C20H16N2O2S.2C20H16N2O.C15H14N2O2.C14H11BrN2O2S.C13H10N2.C6H7BO2.3C2H6.CH2O3.CH4O.2Na.H/c1-15-9-11-17(12-10-15)25(23,24)22-14-19(16-6-3-2-4-7-16)18-8-5-13-21-20(18)22;1-2-6-15(7-3-1)14-23-17-9-4-8-16(12-17)19-13-22-20-18(19)10-5-11-21-20;1-2-5-15(6-3-1)14-23-17-10-8-16(9-11-17)19-13-22-20-18(19)7-4-12-21-20;1-18-13-6-5-10(8-14(13)19-2)12-9-17-15-11(12)4-3-7-16-15;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-2-5-10(6-3-1)12-9-15-13-11(12)7-4-8-14-13;8-7(9)6-4-2-1-3-5-6;3*1-2;2-1-4-3;1-2;;;/h2-14H,1H3;2*1-13H,14H2,(H,21,22);3-9H,1-2H3,(H,16,17);2-9H,1H3;1-9H,(H,14,15);1-5,8-9H;3*1-2H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;2*+1;-1/p-1
InChIKeyIBIAPUVQIYYINC-UHFFFAOYSA-M
MW2101.09 g/mol
LogP18.30
Rot. Bonds19

About disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine

disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158126332) has the molecular formula C116H114BBrN12Na2O14S2 and a molecular weight of 2101.09 g/mol. Its IUPAC name is disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namedisodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID158126332
Molecular FormulaC116H114BBrN12Na2O14S2
Molecular Weight2101.09 g/mol
Exact Mass2098.71
IUPAC Namedisodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC.CC.CC.CO.COc1ccc(-c2c[nH]c3ncccc23)cc1OC.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.O=CO[O-].OB(O)c1ccccc1.[H-].[Na+].[Na+].c1ccc(-c2c[nH]c3ncccc23)cc1.c1ccc(COc2ccc(-c3c[nH]c4ncccc34)cc2)cc1.c1ccc(COc2cccc(-c3c[nH]c4ncccc34)c2)cc1
InChIInChI=1S/C20H16N2O2S.2C20H16N2O.C15H14N2O2.C14H11BrN2O2S.C13H10N2.C6H7BO2.3C2H6.CH2O3.CH4O.2Na.H/c1-15-9-11-17(12-10-15)25(23,24)22-14-19(16-6-3-2-4-7-16)18-8-5-13-21-20(18)22;1-2-6-15(7-3-1)14-23-17-9-4-8-16(12-17)19-13-22-20-18(19)10-5-11-21-20;1-2-5-15(6-3-1)14-23-17-10-8-16(9-11-17)19-13-22-20-18(19)7-4-12-21-20;1-18-13-6-5-10(8-14(13)19-2)12-9-17-15-11(12)4-3-7-16-15;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-2-5-10(6-3-1)12-9-15-13-11(12)7-4-8-14-13;8-7(9)6-4-2-1-3-5-6;3*1-2;2-1-4-3;1-2;;;/h2-14H,1H3;2*1-13H,14H2,(H,21,22);3-9H,1-2H3,(H,16,17);2-9H,1H3;1-9H,(H,14,15);1-5,8-9H;3*1-2H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;2*+1;-1/p-1
InChIKeyIBIAPUVQIYYINC-UHFFFAOYSA-M
XLogP18.30
TPSA365.61 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002101.09
LogP ≤ 518.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[[5-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;[5-(morpholin-4-ylmethyl)thiophen-2-yl]boronic acid
CID 158172016
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]pyrrolidine
CID 159328449
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;[3-[tert-butyl(methyl)sulfamoyl]phenyl]boronic acid
CID 159352879
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;4-[5-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine
CID 160074746
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;[3-[tert-butyl(methyl)sulfamoyl]phenyl]boronic acid
CID 160554891
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;tert-butyl 4-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161306165
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]pyrrolidine
CID 161513678
5-bromo-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;[5-(piperidin-1-ylmethyl)thiophen-2-yl]boronic acid
CID 161927917
disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 158200349
disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methane;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 158339810
disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxy formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 159149307
5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
CID 160264304

Frequently Asked Questions

What is the IUPAC name of disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 158126332) is disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine is CC.CC.CC.CO.COc1ccc(-c2c[nH]c3ncccc23)cc1OC.Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.O=CO[O-].OB(O)c1ccccc1.[H-].[Na+].[Na+].c1ccc(-c2c[nH]c3ncccc23)cc1.c1ccc(COc2ccc(-c3c[nH]c4ncccc34)cc2)cc1.c1ccc(COc2cccc(-c3c[nH]c4ncccc34)c2)cc1.
What is the InChIKey of disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IBIAPUVQIYYINC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16N2O2S.2C20H16N2O.C15H14N2O2.C14H11BrN2O2S.C13H10N2.C6H7BO2.3C2H6.CH2O3.CH4O.2Na.H/c1-15-9-11-17(12-10-15)25(23,24)22-14-19(16-6-3-2-4-7-16)18-8-5-13-21-20(18)22;1-2-6-15(7-3-1)14-23-17-9-4-8-16(12-17)19-13-22-20-18(19)10-5-11-21-20;1-2-5-15(6-3-1)14-23-17-10-8-16(9-11-17)19-13-22-20-18(19)7-4-12-21-20;1-18-13-6-5-10(8-14(13)19-2)12-9-17-15-11(12)4-3-7-16-15;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-2-5-10(6-3-1)12-9-15-13-11(12)7-4-8-14-13;8-7(9)6-4-2-1-3-5-6;3*1-2;2-1-4-3;1-2;;;/h2-14H,1H3;2*1-13H,14H2,(H,21,22);3-9H,1-2H3,(H,16,17);2-9H,1H3;1-9H,(H,14,15);1-5,8-9H;3*1-2H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine?
disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2101.09 g/mol, XLogP of 18.30, 19 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;hydride;methanol;1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine;oxido formate;phenylboronic acid;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158126332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).