5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione

C187H124N32O48 — CID 162092937

About 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione

5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 162092937) has the molecular formula C187H124N32O48 and a molecular weight of 3587.22 g/mol. Its IUPAC name is 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

• Compound Name: 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione
• PubChem CID: 162092937
• Molecular Formula: C187H124N32O48
• Molecular Weight: 3587.22 g/mol
• Exact Mass: 3584.82
• IUPAC Name: 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione
• SMILES: Cc1c(C=CC=c2c(C)c3c([nH]c2=O)=NN(c2ccc(C(=O)O)cc2)C3=O)c(O)[nH]c2nn(-c3ccc(C(=O)O)cc3)c(=O)c1-2.Cc1c(C=CC=c2c(C)c3c(n(-c4cc(C(=O)O)cc(C(=O)O)c4)c2=O)=NNC3=O)c(O)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c2n[nH]c(=O)c1-2.Cc1c(C=CC=c2c(C)c3c(n(-c4ccc(C(=O)O)cc4)c2=O)=NNC3=O)c(O)n(-c2ccc(C(=O)O)cc2)c2n[nH]c(=O)c1-2.Cc1c(C=CC=c2c(C)c3c(n(-c4ccccn4)c2=O)=NN(c2ccc4ccccc4c2)C3=O)c(O)n(-c2ccccn2)c2nn(-c3ccc4ccccc4c3)c(=O)c1-2.O=C(O)c1ccc(-n2c3nn(-c4cc(C(=O)O)cc(C(=O)O)c4)c(=O)c-3cc(C=CC=c3cc4c(n(-c5ccc(C(=O)O)cc5)c3=O)=NN(c3cc(C(=O)O)cc(C(=O)O)c3)C4=O)c2O)cc1
• InChI: InChI=1S/C47H32N8O4.C45H26N6O16.C33H22N6O12.2C31H22N6O8/c1-28-36(44(56)52(38-18-7-9-24-48-38)42-40(28)46(58)54(50-42)34-22-20-30-12-3-5-14-32(30)26-34)16-11-17-37-29(2)41-43(53(45(37)57)39-19-8-10-25-49-39)51-55(47(41)59)35-23-21-31-13-4-6-15-33(31)27-35;52-36-22(18-32-34(48(36)28-8-4-20(5-9-28)40(56)57)46-50(38(32)54)30-14-24(42(60)61)12-25(15-30)43(62)63)2-1-3-23-19-33-35(49(37(23)53)29-10-6-21(7-11-29)41(58)59)47-51(39(33)55)31-16-26(44(64)65)13-27(17-31)45(66)67;1-12-20(28(42)38(24-22(12)26(40)36-34-24)18-8-14(30(44)45)6-15(9-18)31(46)47)4-3-5-21-13(2)23-25(35-37-27(23)41)39(29(21)43)19-10-16(32(48)49)7-17(11-19)33(50)51;1-14-20(28(40)36(24-22(14)26(38)34-32-24)18-10-6-16(7-11-18)30(42)43)4-3-5-21-15(2)23-25(33-35-27(23)39)37(29(21)41)19-12-8-17(9-13-19)31(44)45;1-14-20(26(38)32-24-22(14)28(40)36(34-24)18-10-6-16(7-11-18)30(42)43)4-3-5-21-15(2)23-25(33-27(21)39)35-37(29(23)41)19-12-8-17(9-13-19)31(44)45/h3-27,56H,1-2H3;1-19,52H,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67);3-11,42H,1-2H3,(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51);3-13,40H,1-2H3,(H,34,38)(H,35,39)(H,42,43)(H,44,45);3-13H,1-2H3,(H,42,43)(H,44,45)(H,32,34,38)(H2,33,35,39)
• InChIKey: ZDVYUAKEQMCFPE-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 1182.60 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 57
• Rotatable Bonds: 38
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3587.22
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione?

The IUPAC name of 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione (CID 162092937) is 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione.

What is the SMILES notation for 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione?

The canonical SMILES for 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione is Cc1c(C=CC=c2c(C)c3c([nH]c2=O)=NN(c2ccc(C(=O)O)cc2)C3=O)c(O)[nH]c2nn(-c3ccc(C(=O)O)cc3)c(=O)c1-2.Cc1c(C=CC=c2c(C)c3c(n(-c4cc(C(=O)O)cc(C(=O)O)c4)c2=O)=NNC3=O)c(O)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c2n[nH]c(=O)c1-2.Cc1c(C=CC=c2c(C)c3c(n(-c4ccc(C(=O)O)cc4)c2=O)=NNC3=O)c(O)n(-c2ccc(C(=O)O)cc2)c2n[nH]c(=O)c1-2.Cc1c(C=CC=c2c(C)c3c(n(-c4ccccn4)c2=O)=NN(c2ccc4ccccc4c2)C3=O)c(O)n(-c2ccccn2)c2nn(-c3ccc4ccccc4c3)c(=O)c1-2.O=C(O)c1ccc(-n2c3nn(-c4cc(C(=O)O)cc(C(=O)O)c4)c(=O)c-3cc(C=CC=c3cc4c(n(-c5ccc(C(=O)O)cc5)c3=O)=NN(c3cc(C(=O)O)cc(C(=O)O)c3)C4=O)c2O)cc1.

What is the InChIKey of 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione?

The InChIKey is ZDVYUAKEQMCFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N8O4.C45H26N6O16.C33H22N6O12.2C31H22N6O8/c1-28-36(44(56)52(38-18-7-9-24-48-38)42-40(28)46(58)54(50-42)34-22-20-30-12-3-5-14-32(30)26-34)16-11-17-37-29(2)41-43(53(45(37)57)39-19-8-10-25-49-39)51-55(47(41)59)35-23-21-31-13-4-6-15-33(31)27-35;52-36-22(18-32-34(48(36)28-8-4-20(5-9-28)40(56)57)46-50(38(32)54)30-14-24(42(60)61)12-25(15-30)43(62)63)2-1-3-23-19-33-35(49(37(23)53)29-10-6-21(7-11-29)41(58)59)47-51(39(33)55)31-16-26(44(64)65)13-27(17-31)45(66)67;1-12-20(28(42)38(24-22(12)26(40)36-34-24)18-8-14(30(44)45)6-15(9-18)31(46)47)4-3-5-21-13(2)23-25(35-37-27(23)41)39(29(21)43)19-10-16(32(48)49)7-17(11-19)33(50)51;1-14-20(28(40)36(24-22(14)26(38)34-32-24)18-10-6-16(7-11-18)30(42)43)4-3-5-21-15(2)23-25(33-35-27(23)39)37(29(21)41)19-12-8-17(9-13-19)31(44)45;1-14-20(26(38)32-24-22(14)28(40)36(34-24)18-10-6-16(7-11-18)30(42)43)4-3-5-21-15(2)23-25(33-27(21)39)35-37(29(23)41)19-12-8-17(9-13-19)31(44)45/h3-27,56H,1-2H3;1-19,52H,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67);3-11,42H,1-2H3,(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51);3-13,40H,1-2H3,(H,34,38)(H,35,39)(H,42,43)(H,44,45);3-13H,1-2H3,(H,42,43)(H,44,45)(H,32,34,38)(H2,33,35,39).

What are the key properties of 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione?

5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 3587.22 g/mol, XLogP of 13.02, 38 rotatable bonds, 25 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(4-carboxyphenyl)-5-[3-[7-(4-carboxyphenyl)-2-(3,5-dicarboxyphenyl)-3,6-dioxopyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-3-oxopyrazolo[3,4-b]pyridin-2-yl]benzene-1,3-dicarboxylic acid;4-[5-[3-[2-(4-carboxyphenyl)-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;4-[5-[3-[7-(4-carboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzoic acid;5-[5-[3-[7-(3,5-dicarboxyphenyl)-4-methyl-3,6-dioxo-2H-pyrazolo[3,4-b]pyridin-5-ylidene]prop-1-enyl]-6-hydroxy-4-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-7-yl]benzene-1,3-dicarboxylic acid;5-[3-(6-hydroxy-4-methyl-2-naphthalen-2-yl-3-oxo-7-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enylidene]-4-methyl-2-naphthalen-2-yl-7-pyridin-2-ylpyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 162092937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).