ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate

C168H153N25O25 — CID 159973887

IUPACethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2CCCOc1ccccc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccc(-c2ccncc2)cc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccc(OC)cc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccccc1Oc1ccccc1.COC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1.COC(=O)c1cc(C)nc2c1c(C)nn2C.COC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H21N3O4.C25H20N4O3.C24H23N3O3.C23H21N3O3.C22H21N3O4.C21H19N3O4.C16H15N3O2.C11H13N3O2/c1-17-24-20(26(30)31-2)15-21(23-13-8-14-32-23)27-25(24)29(28-17)16-18-9-6-7-12-22(18)33-19-10-4-3-5-11-19;1-16-23-20(25(30)31-2)14-21(22-4-3-13-32-22)27-24(23)29(28-16)15-17-5-7-18(8-6-17)19-9-11-26-12-10-19;1-4-29-24(28)21-14-16(2)25-23-22(21)17(3)26-27(23)15-18-10-12-20(13-11-18)30-19-8-6-5-7-9-19;1-15-13-20(23(27)28-3)21-16(2)25-26(22(21)24-15)14-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18;1-15-20-17(22(26)27-2)14-18(19-10-6-12-29-19)23-21(20)25(24-15)11-7-13-28-16-8-4-3-5-9-16;1-13-19-16(21(25)27-3)11-17(18-5-4-10-28-18)22-20(19)24(23-13)12-14-6-8-15(26-2)9-7-14;1-10-9-13(16(20)21-3)14-11(2)18-19(15(14)17-10)12-7-5-4-6-8-12;1-6-5-8(11(15)16-4)9-7(2)13-14(3)10(9)12-6/h3-15H,16H2,1-2H3;3-14H,15H2,1-2H3;5-14H,4,15H2,1-3H3;4-13H,14H2,1-3H3;3-6,8-10,12,14H,7,11,13H2,1-2H3;4-11H,12H2,1-3H3;4-9H,1-3H3;5H,1-4H3
InChIKeyOEXDADFSDFJNDH-UHFFFAOYSA-N
MW2922.22 g/mol
LogP32.56
Rot. Bonds37

About ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate

ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 159973887) has the molecular formula C168H153N25O25 and a molecular weight of 2922.22 g/mol. Its IUPAC name is ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID159973887
Molecular FormulaC168H153N25O25
Molecular Weight2922.22 g/mol
Exact Mass2920.15
IUPAC Nameethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2CCCOc1ccccc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccc(-c2ccncc2)cc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccc(OC)cc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccccc1Oc1ccccc1.COC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1.COC(=O)c1cc(C)nc2c1c(C)nn2C.COC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H21N3O4.C25H20N4O3.C24H23N3O3.C23H21N3O3.C22H21N3O4.C21H19N3O4.C16H15N3O2.C11H13N3O2/c1-17-24-20(26(30)31-2)15-21(23-13-8-14-32-23)27-25(24)29(28-17)16-18-9-6-7-12-22(18)33-19-10-4-3-5-11-19;1-16-23-20(25(30)31-2)14-21(22-4-3-13-32-22)27-24(23)29(28-16)15-17-5-7-18(8-6-17)19-9-11-26-12-10-19;1-4-29-24(28)21-14-16(2)25-23-22(21)17(3)26-27(23)15-18-10-12-20(13-11-18)30-19-8-6-5-7-9-19;1-15-13-20(23(27)28-3)21-16(2)25-26(22(21)24-15)14-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18;1-15-20-17(22(26)27-2)14-18(19-10-6-12-29-19)23-21(20)25(24-15)11-7-13-28-16-8-4-3-5-9-16;1-13-19-16(21(25)27-3)11-17(18-5-4-10-28-18)22-20(19)24(23-13)12-14-6-8-15(26-2)9-7-14;1-10-9-13(16(20)21-3)14-11(2)18-19(15(14)17-10)12-7-5-4-6-8-12;1-6-5-8(11(15)16-4)9-7(2)13-14(3)10(9)12-6/h3-15H,16H2,1-2H3;3-14H,15H2,1-2H3;5-14H,4,15H2,1-3H3;4-13H,14H2,1-3H3;3-6,8-10,12,14H,7,11,13H2,1-2H3;4-11H,12H2,1-3H3;4-9H,1-3H3;5H,1-4H3
InChIKeyOEXDADFSDFJNDH-UHFFFAOYSA-N
XLogP32.56
TPSA567.68 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds37
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002922.22
LogP ≤ 532.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

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
CID 158002486
CID 158002486
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
CID 159201413
CID 159201413
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
CID 159832956
CID 159832956
CID 159900649
CID 159900649
[3-(1,1-difluoroethyl)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;(2-ethoxyphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-fluoro-4-methoxyphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-fluoro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;methane;(6-methoxy-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyrimidin-2-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone
CID 160532341
CID 160615149
CID 160615149
[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
1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethanone;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-(3-ethyl-2H-indazol-6-yl)-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-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 161184799

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 159973887) is ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2CCCOc1ccccc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccc(-c2ccncc2)cc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccc(OC)cc1.COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccccc1Oc1ccccc1.COC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1.COC(=O)c1cc(C)nc2c1c(C)nn2C.COC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is OEXDADFSDFJNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4.C25H20N4O3.C24H23N3O3.C23H21N3O3.C22H21N3O4.C21H19N3O4.C16H15N3O2.C11H13N3O2/c1-17-24-20(26(30)31-2)15-21(23-13-8-14-32-23)27-25(24)29(28-17)16-18-9-6-7-12-22(18)33-19-10-4-3-5-11-19;1-16-23-20(25(30)31-2)14-21(22-4-3-13-32-22)27-24(23)29(28-16)15-17-5-7-18(8-6-17)19-9-11-26-12-10-19;1-4-29-24(28)21-14-16(2)25-23-22(21)17(3)26-27(23)15-18-10-12-20(13-11-18)30-19-8-6-5-7-9-19;1-15-13-20(23(27)28-3)21-16(2)25-26(22(21)24-15)14-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18;1-15-20-17(22(26)27-2)14-18(19-10-6-12-29-19)23-21(20)25(24-15)11-7-13-28-16-8-4-3-5-9-16;1-13-19-16(21(25)27-3)11-17(18-5-4-10-28-18)22-20(19)24(23-13)12-14-6-8-15(26-2)9-7-14;1-10-9-13(16(20)21-3)14-11(2)18-19(15(14)17-10)12-7-5-4-6-8-12;1-6-5-8(11(15)16-4)9-7(2)13-14(3)10(9)12-6/h3-15H,16H2,1-2H3;3-14H,15H2,1-2H3;5-14H,4,15H2,1-3H3;4-13H,14H2,1-3H3;3-6,8-10,12,14H,7,11,13H2,1-2H3;4-11H,12H2,1-3H3;4-9H,1-3H3;5H,1-4H3.
What are the key properties of ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 2922.22 g/mol, XLogP of 32.56, 37 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 159973887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).