3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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

C200H164N26O27 — CID 159361728

IUPAC3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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.Cc1cc(C(=O)O)c2c(C)nn(Cc3ccc(Oc4ccccc4)cc3)c2n1.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(CCc3ccccc3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C29H25N3O3.C29H23N3O3.C29H21N3O3.C26H22N4O4.C24H18N4O3.C22H19N3O3.C21H19N3O4.C20H17N3O4/c3*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;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;1-15-22-19(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;1-14-12-19(22(26)27)20-15(2)24-25(21(20)23-14)13-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17;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/h2-11,13-14,16-18H,12,15,19H2,1H3,(H,33,34);2-18H,19H2,1H3,(H,33,34);2-11,13-14,16-18H,19H2,1H3,(H,33,34);2-14H,15-16H2,1H3,(H,27,28)(H,31,32);2-13H,14H2,1H3,(H,29,30);3-12H,13H2,1-2H3,(H,26,27);2-5,7-9,11,13H,6,10,12H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,24,25)/b;15-12+;;;;;;
InChIKeyLIPYTUOHWHGPAM-AMOKPQNOSA-N
MW3363.67 g/mol
LogP40.99
Rot. Bonds50

About 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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

3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 159361728) has the molecular formula C200H164N26O27 and a molecular weight of 3363.67 g/mol. Its IUPAC name is 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 Name3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 CID159361728
Molecular FormulaC200H164N26O27
Molecular Weight3363.67 g/mol
Exact Mass3361.23
IUPAC Name3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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.Cc1cc(C(=O)O)c2c(C)nn(Cc3ccc(Oc4ccccc4)cc3)c2n1.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(CCc3ccccc3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C29H25N3O3.C29H23N3O3.C29H21N3O3.C26H22N4O4.C24H18N4O3.C22H19N3O3.C21H19N3O4.C20H17N3O4/c3*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;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;1-15-22-19(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;1-14-12-19(22(26)27)20-15(2)24-25(21(20)23-14)13-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17;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/h2-11,13-14,16-18H,12,15,19H2,1H3,(H,33,34);2-18H,19H2,1H3,(H,33,34);2-11,13-14,16-18H,19H2,1H3,(H,33,34);2-14H,15-16H2,1H3,(H,27,28)(H,31,32);2-13H,14H2,1H3,(H,29,30);3-12H,13H2,1-2H3,(H,26,27);2-5,7-9,11,13H,6,10,12H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,24,25)/b;15-12+;;;;;;
InChIKeyLIPYTUOHWHGPAM-AMOKPQNOSA-N
XLogP40.99
TPSA686.17 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds50
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003363.67
LogP ≤ 540.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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

3-[[2-(5-Fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-[5-(furan-2-yl)furan-2-yl]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 155229867
2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-methylphenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 157636321
3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;5-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2H-imidazole-4-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]furo[2,3-c]pyridine-5-carboxamide
CID 158232511
1-[4-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethanone;3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 159454013
acetic acid;6-(azepan-1-yl)-1-methyl-3-[[(2R)-2-methyl-3-pyrrolidin-1-ylpropoxy]methyl]pyrazolo[3,4-b]pyridine;6-(azepan-1-yl)-1-methyl-3-[[(2S)-2-methyl-3-pyrrolidin-1-ylpropoxy]methyl]pyrazolo[3,4-b]pyridine;6-(azepan-1-yl)-1-methyl-3-(4-pyrrolidin-1-ylbutoxymethyl)pyrazolo[3,4-b]pyridine;2-cyclohexyl-1-[6-(1,4-diazepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]ethanone;N-cyclohexyl-5-(diethylamino)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;2-cyclohexyl-1-[1-methyl-6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pyrazolo[5,4-b]pyridin-3-yl]ethanone;dodecakis(2,2,2-trifluoroacetic acid)
CID 159712247
[1-[4-[[6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane
CID 160710673
1-[4-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethanone;3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 161102575
2-Cyclohexyl-1-[6-(cyclohexylmethoxy)-1-methylpyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(2-morpholin-4-ylethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(3-morpholin-4-ylpropoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid)
CID 161524335
6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;methane
CID 161548971
6-(Furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118414940
6-(Furan-2-yl)-3-methyl-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 118423418
N-[5-(furan-3-yl)-3-[2-[4-[5-(furan-3-yl)-3-[4-[4-[5-(furan-2-yl)-2-methoxyanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-3-yl]-2-methoxyanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 132049787

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 159361728) is 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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.Cc1cc(C(=O)O)c2c(C)nn(Cc3ccc(Oc4ccccc4)cc3)c2n1.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(CCc3ccccc3)cc(C(=O)O)c12.Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(=O)O)c12.
What is the InChIKey of 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 LIPYTUOHWHGPAM-AMOKPQNOSA-N. The full InChI is InChI=1S/C29H25N3O3.C29H23N3O3.C29H21N3O3.C26H22N4O4.C24H18N4O3.C22H19N3O3.C21H19N3O4.C20H17N3O4/c3*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;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;1-15-22-19(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;1-14-12-19(22(26)27)20-15(2)24-25(21(20)23-14)13-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17;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/h2-11,13-14,16-18H,12,15,19H2,1H3,(H,33,34);2-18H,19H2,1H3,(H,33,34);2-11,13-14,16-18H,19H2,1H3,(H,33,34);2-14H,15-16H2,1H3,(H,27,28)(H,31,32);2-13H,14H2,1H3,(H,29,30);3-12H,13H2,1-2H3,(H,26,27);2-5,7-9,11,13H,6,10,12H2,1H3,(H,25,26);3-10H,11H2,1-2H3,(H,24,25)/b;15-12+;;;;;;.
What are the key properties of 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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?
3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 3363.67 g/mol, XLogP of 40.99, 50 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]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;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-(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-phenylethyl)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 159361728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).