6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

C200H161N27O29 — CID 158367038

IUPAC6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2nc(C)c3c(C(=O)O)cc(-c4ccco4)nc32)cc1.Cc1nn(CCCOc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(-c3ccncc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(/C=C/c3ccccc3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(C#Cc3ccccc3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccccc2Oc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C29H23N3O3.C29H21N3O3.2C26H22N4O4.C25H19N3O4.C24H18N4O3.C21H19N3O4.C20H17N3O4/c2*1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24;2*1-17-24-22(26(31)32)14-23(27-15-21-8-5-13-33-21)28-25(24)30(29-17)16-18-9-11-20(12-10-18)34-19-6-3-2-4-7-19;1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18;1-15-22-19(24(29)30)13-20(21-3-2-12-31-21)26-23(22)28(27-15)14-16-4-6-17(7-5-16)18-8-10-25-11-9-18;1-14-19-16(21(25)26)13-17(18-9-5-11-28-18)22-20(19)24(23-14)10-6-12-27-15-7-3-2-4-8-15;1-12-18-15(20(24)25)10-16(17-4-3-9-27-17)21-19(18)23(22-12)11-13-5-7-14(26-2)8-6-13/h2-18H,19H2,1H3,(H,33,34);2-11,13-14,16-18H,19H2,1H3,(H,33,34);2*2-14H,15-16H2,1H3,(H,27,28)(H,31,32);2-14H,15H2,1H3,(H,29,30);2-13H,14H2,1H3,(H,29,30);2-5,7-9,11,13H,6,10,12H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,24,25)/b15-12+;;;;;;;
InChIKeyGUDQZIWFDNANSP-XLXBGAAGSA-N
MW3406.65 g/mol
LogP41.36
Rot. Bonds51

About 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 158367038) has the molecular formula C200H161N27O29 and a molecular weight of 3406.65 g/mol. Its IUPAC name is 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID158367038
Molecular FormulaC200H161N27O29
Molecular Weight3406.65 g/mol
Exact Mass3404.20
IUPAC Name6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2nc(C)c3c(C(=O)O)cc(-c4ccco4)nc32)cc1.Cc1nn(CCCOc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(-c3ccncc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(/C=C/c3ccccc3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(C#Cc3ccccc3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccccc2Oc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C29H23N3O3.C29H21N3O3.2C26H22N4O4.C25H19N3O4.C24H18N4O3.C21H19N3O4.C20H17N3O4/c2*1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24;2*1-17-24-22(26(31)32)14-23(27-15-21-8-5-13-33-21)28-25(24)30(29-17)16-18-9-11-20(12-10-18)34-19-6-3-2-4-7-19;1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18;1-15-22-19(24(29)30)13-20(21-3-2-12-31-21)26-23(22)28(27-15)14-16-4-6-17(7-5-16)18-8-10-25-11-9-18;1-14-19-16(21(25)26)13-17(18-9-5-11-28-18)22-20(19)24(23-14)10-6-12-27-15-7-3-2-4-8-15;1-12-18-15(20(24)25)10-16(17-4-3-9-27-17)21-19(18)23(22-12)11-13-5-7-14(26-2)8-6-13/h2-18H,19H2,1H3,(H,33,34);2-11,13-14,16-18H,19H2,1H3,(H,33,34);2*2-14H,15-16H2,1H3,(H,27,28)(H,31,32);2-14H,15H2,1H3,(H,29,30);2-13H,14H2,1H3,(H,29,30);2-5,7-9,11,13H,6,10,12H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,24,25)/b15-12+;;;;;;;
InChIKeyGUDQZIWFDNANSP-XLXBGAAGSA-N
XLogP41.36
TPSA724.48 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds51
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003406.65
LogP ≤ 541.36
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-(furan-2-yl)-3-methyl-1-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118423391
ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 118423479
1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 118423456
1-[[4-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118424720
6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 118424984
[6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridin-4-yl]-methoxymethanol
CID 146239223
6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31866868
6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55661429
2-benzyl-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;2-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;3,6-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid;ethyl 6-(furan-2-ylmethylideneamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;ethyl 6-(furan-2-yl)-3-methyl-1-(naphthalen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate;ethyl 6-(furan-2-yl)-3-methyl-1-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;6-(furan-2-yl)-2,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-ylmethylideneamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(naphthalen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-2-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 6-(furan-2-ylmethylideneamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(naphthalen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate;2,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 161411293
methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247937
[4-(furan-2-ylmethyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821355
6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55979218

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 158367038) is 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is COc1ccc(Cn2nc(C)c3c(C(=O)O)cc(-c4ccco4)nc32)cc1.Cc1nn(CCCOc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(-c3ccncc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(/C=C/c3ccccc3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(C#Cc3ccccc3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(=O)O)c12.Cc1nn(Cc2ccccc2Oc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.
What is the InChIKey of 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is GUDQZIWFDNANSP-XLXBGAAGSA-N. The full InChI is InChI=1S/C29H23N3O3.C29H21N3O3.2C26H22N4O4.C25H19N3O4.C24H18N4O3.C21H19N3O4.C20H17N3O4/c2*1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24;2*1-17-24-22(26(31)32)14-23(27-15-21-8-5-13-33-21)28-25(24)30(29-17)16-18-9-11-20(12-10-18)34-19-6-3-2-4-7-19;1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18;1-15-22-19(24(29)30)13-20(21-3-2-12-31-21)26-23(22)28(27-15)14-16-4-6-17(7-5-16)18-8-10-25-11-9-18;1-14-19-16(21(25)26)13-17(18-9-5-11-28-18)22-20(19)24(23-14)10-6-12-27-15-7-3-2-4-8-15;1-12-18-15(20(24)25)10-16(17-4-3-9-27-17)21-19(18)23(22-12)11-13-5-7-14(26-2)8-6-13/h2-18H,19H2,1H3,(H,33,34);2-11,13-14,16-18H,19H2,1H3,(H,33,34);2*2-14H,15-16H2,1H3,(H,27,28)(H,31,32);2-14H,15H2,1H3,(H,29,30);2-13H,14H2,1H3,(H,29,30);2-5,7-9,11,13H,6,10,12H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,24,25)/b15-12+;;;;;;;.
What are the key properties of 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 3406.65 g/mol, XLogP of 41.36, 51 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 158367038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).