sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide

C134H120BBr2Cl5F6N27NaO14+2 — CID 161442785

IUPACsodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide
SMILESC.CC1(C)OB(c2cc(Cl)ccc2N)OC1(C)C.Nc1cc(F)ccc1CC(=O)C1(O)CCc2cc(-c3cc(Cl)ccc3N)c[n+](O)c21.Nc1cc(F)ccc1CC(=O)C1(O)CCc2cc(Br)cnc21.Nc1ccc(Cl)cc1-c1cnc2c(c1)CCC2(O)C1=Nc2ccc(F)cc2C1.Nc1ccc(F)cc1N.O=C(O)C1(O)CCc2cc(Br)cnc21.OC1(C2=Nc3ccc(F)cc3C2)CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)cnc21.O[n+]1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2c1C(O)(C1=Nc3ccc(F)cc3C1)CC2.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C23H17ClFN6O2.C23H16ClFN6O.C22H20ClFN3O3.C22H17ClFN3O.C16H14BrFN2O2.C12H17BClNO2.C9H8BrNO3.C6H7FN2.CH4.N3.Na/c24-16-1-4-20(30-12-26-28-29-30)18(10-16)15-7-13-5-6-23(32,22(13)31(33)11-15)21-9-14-8-17(25)2-3-19(14)27-21;24-16-1-4-20(31-12-27-29-30-31)18(10-16)15-7-13-5-6-23(32,22(13)26-11-15)21-9-14-8-17(25)2-3-19(14)28-21;23-15-2-4-18(25)17(9-15)14-7-13-5-6-22(29,21(13)27(30)11-14)20(28)8-12-1-3-16(24)10-19(12)26;23-15-1-3-18(25)17(10-15)14-7-12-5-6-22(28,21(12)26-11-14)20-9-13-8-16(24)2-4-19(13)27-20;17-11-5-10-3-4-16(22,15(10)20-8-11)14(21)6-9-1-2-12(18)7-13(9)19;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;10-6-3-5-1-2-9(14,8(12)13)7(5)11-4-6;7-4-1-2-5(8)6(9)3-4;;1-3-2;/h1-4,7-8,10-12,32-33H,5-6,9H2;1-4,7-8,10-12,32H,5-6,9H2;1-4,7,9-11,29-30H,5-6,8,25-26H2;1-4,7-8,10-11,28H,5-6,9,25H2;1-2,5,7-8,22H,3-4,6,19H2;5-7H,15H2,1-4H3;3-4,14H,1-2H2,(H,12,13);1-3H,8-9H2;1H4;;/q+1;;+1;;;;;;;-1;+1
InChIKeyDDEWDBDXJPHSQL-UHFFFAOYSA-N
MW2817.47 g/mol
LogP19.75
Rot. Bonds17

About sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide

sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide (PubChem CID 161442785) has the molecular formula C134H120BBr2Cl5F6N27NaO14+2 and a molecular weight of 2817.47 g/mol. Its IUPAC name is sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide.

Molecular Properties

Compound Namesodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide
PubChem CID161442785
Molecular FormulaC134H120BBr2Cl5F6N27NaO14+2
Molecular Weight2817.47 g/mol
Exact Mass2811.62
IUPAC Namesodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide
SMILESC.CC1(C)OB(c2cc(Cl)ccc2N)OC1(C)C.Nc1cc(F)ccc1CC(=O)C1(O)CCc2cc(-c3cc(Cl)ccc3N)c[n+](O)c21.Nc1cc(F)ccc1CC(=O)C1(O)CCc2cc(Br)cnc21.Nc1ccc(Cl)cc1-c1cnc2c(c1)CCC2(O)C1=Nc2ccc(F)cc2C1.Nc1ccc(F)cc1N.O=C(O)C1(O)CCc2cc(Br)cnc21.OC1(C2=Nc3ccc(F)cc3C2)CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)cnc21.O[n+]1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2c1C(O)(C1=Nc3ccc(F)cc3C1)CC2.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C23H17ClFN6O2.C23H16ClFN6O.C22H20ClFN3O3.C22H17ClFN3O.C16H14BrFN2O2.C12H17BClNO2.C9H8BrNO3.C6H7FN2.CH4.N3.Na/c24-16-1-4-20(30-12-26-28-29-30)18(10-16)15-7-13-5-6-23(32,22(13)31(33)11-15)21-9-14-8-17(25)2-3-19(14)27-21;24-16-1-4-20(31-12-27-29-30-31)18(10-16)15-7-13-5-6-23(32,22(13)26-11-15)21-9-14-8-17(25)2-3-19(14)28-21;23-15-2-4-18(25)17(9-15)14-7-13-5-6-22(29,21(13)27(30)11-14)20(28)8-12-1-3-16(24)10-19(12)26;23-15-1-3-18(25)17(10-15)14-7-12-5-6-22(28,21(12)26-11-14)20-9-13-8-16(24)2-4-19(13)27-20;17-11-5-10-3-4-16(22,15(10)20-8-11)14(21)6-9-1-2-12(18)7-13(9)19;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;10-6-3-5-1-2-9(14,8(12)13)7(5)11-4-6;7-4-1-2-5(8)6(9)3-4;;1-3-2;/h1-4,7-8,10-12,32-33H,5-6,9H2;1-4,7-8,10-12,32H,5-6,9H2;1-4,7,9-11,29-30H,5-6,8,25-26H2;1-4,7-8,10-11,28H,5-6,9,25H2;1-2,5,7-8,22H,3-4,6,19H2;5-7H,15H2,1-4H3;3-4,14H,1-2H2,(H,12,13);1-3H,8-9H2;1H4;;/q+1;;+1;;;;;;;-1;+1
InChIKeyDDEWDBDXJPHSQL-UHFFFAOYSA-N
XLogP19.75
TPSA676.18 Ų
H-Bond Donors16
H-Bond Acceptors35
Rotatable Bonds17
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002817.47
LogP ≤ 519.75
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide?
The IUPAC name of sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide (CID 161442785) is sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide.
What is the SMILES notation for sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide?
The canonical SMILES for sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide is C.CC1(C)OB(c2cc(Cl)ccc2N)OC1(C)C.Nc1cc(F)ccc1CC(=O)C1(O)CCc2cc(-c3cc(Cl)ccc3N)c[n+](O)c21.Nc1cc(F)ccc1CC(=O)C1(O)CCc2cc(Br)cnc21.Nc1ccc(Cl)cc1-c1cnc2c(c1)CCC2(O)C1=Nc2ccc(F)cc2C1.Nc1ccc(F)cc1N.O=C(O)C1(O)CCc2cc(Br)cnc21.OC1(C2=Nc3ccc(F)cc3C2)CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)cnc21.O[n+]1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2c1C(O)(C1=Nc3ccc(F)cc3C1)CC2.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide?
The InChIKey is DDEWDBDXJPHSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN6O2.C23H16ClFN6O.C22H20ClFN3O3.C22H17ClFN3O.C16H14BrFN2O2.C12H17BClNO2.C9H8BrNO3.C6H7FN2.CH4.N3.Na/c24-16-1-4-20(30-12-26-28-29-30)18(10-16)15-7-13-5-6-23(32,22(13)31(33)11-15)21-9-14-8-17(25)2-3-19(14)27-21;24-16-1-4-20(31-12-27-29-30-31)18(10-16)15-7-13-5-6-23(32,22(13)26-11-15)21-9-14-8-17(25)2-3-19(14)28-21;23-15-2-4-18(25)17(9-15)14-7-13-5-6-22(29,21(13)27(30)11-14)20(28)8-12-1-3-16(24)10-19(12)26;23-15-1-3-18(25)17(10-15)14-7-12-5-6-22(28,21(12)26-11-14)20-9-13-8-16(24)2-4-19(13)27-20;17-11-5-10-3-4-16(22,15(10)20-8-11)14(21)6-9-1-2-12(18)7-13(9)19;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;10-6-3-5-1-2-9(14,8(12)13)7(5)11-4-6;7-4-1-2-5(8)6(9)3-4;;1-3-2;/h1-4,7-8,10-12,32-33H,5-6,9H2;1-4,7-8,10-12,32H,5-6,9H2;1-4,7,9-11,29-30H,5-6,8,25-26H2;1-4,7-8,10-11,28H,5-6,9,25H2;1-2,5,7-8,22H,3-4,6,19H2;5-7H,15H2,1-4H3;3-4,14H,1-2H2,(H,12,13);1-3H,8-9H2;1H4;;/q+1;;+1;;;;;;;-1;+1.
What are the key properties of sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide?
sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide has a molecular weight of 2817.47 g/mol, XLogP of 19.75, 17 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-[3-(2-amino-5-chlorophenyl)-1,7-dihydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-yl]-2-(2-amino-4-fluorophenyl)ethanone;3-(2-amino-5-chlorophenyl)-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;2-(2-amino-4-fluorophenyl)-1-(3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl)ethanone;3-bromo-7-hydroxy-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-1-hydroxy-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ol;4-fluorobenzene-1,2-diamine;methane;azide is sourced from PubChem (CID 161442785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).