ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

C180H164N20O18 — CID 159714212

IUPACethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCOC(=O)c1cc(/C=C/c2ccccc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1cc(C#Cc2ccccc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1cc(CCc2ccccc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1cc(NCCN2CCCCC2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.Cc1ccc(-c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5ccccc5)cc4)c3n2)cc1
InChIInChI=1S/C31H29N3O3.C31H27N3O3.C31H25N3O3.C30H35N5O3.C29H25N3O3.C28H23N3O3/c3*1-3-36-31(35)28-20-25(17-14-23-10-6-4-7-11-23)32-30-29(28)22(2)33-34(30)21-24-15-18-27(19-16-24)37-26-12-8-5-9-13-26;1-3-37-30(36)26-20-27(31-16-19-34-17-8-5-9-18-34)32-29-28(26)22(2)33-35(29)21-23-12-14-25(15-13-23)38-24-10-6-4-7-11-24;1-19-9-13-22(14-10-19)26-17-25(29(33)34-3)27-20(2)31-32(28(27)30-26)18-21-11-15-24(16-12-21)35-23-7-5-4-6-8-23;1-18-8-12-21(13-9-18)25-16-24(28(32)33)26-19(2)30-31(27(26)29-25)17-20-10-14-23(15-11-20)34-22-6-4-3-5-7-22/h4-13,15-16,18-20H,3,14,17,21H2,1-2H3;4-20H,3,21H2,1-2H3;4-13,15-16,18-20H,3,21H2,1-2H3;4,6-7,10-15,20H,3,5,8-9,16-19,21H2,1-2H3,(H,31,32);4-17H,18H2,1-3H3;3-16H,17H2,1-2H3,(H,32,33)/b;17-14+;;;;
InChIKeyMZFJWEVLUDXBOX-ISVZAWMVSA-N
MW2895.41 g/mol
LogP37.88
Rot. Bonds45

About ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 159714212) has the molecular formula C180H164N20O18 and a molecular weight of 2895.41 g/mol. Its IUPAC name is ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Nameethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID159714212
Molecular FormulaC180H164N20O18
Molecular Weight2895.41 g/mol
Exact Mass2893.25
IUPAC Nameethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCOC(=O)c1cc(/C=C/c2ccccc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1cc(C#Cc2ccccc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1cc(CCc2ccccc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1cc(NCCN2CCCCC2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.Cc1ccc(-c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5ccccc5)cc4)c3n2)cc1
InChIInChI=1S/C31H29N3O3.C31H27N3O3.C31H25N3O3.C30H35N5O3.C29H25N3O3.C28H23N3O3/c3*1-3-36-31(35)28-20-25(17-14-23-10-6-4-7-11-23)32-30-29(28)22(2)33-34(30)21-24-15-18-27(19-16-24)37-26-12-8-5-9-13-26;1-3-37-30(36)26-20-27(31-16-19-34-17-8-5-9-18-34)32-29-28(26)22(2)33-35(29)21-23-12-14-25(15-13-23)38-24-10-6-4-7-11-24;1-19-9-13-22(14-10-19)26-17-25(29(33)34-3)27-20(2)31-32(28(27)30-26)18-21-11-15-24(16-12-21)35-23-7-5-4-6-8-23;1-18-8-12-21(13-9-18)25-16-24(28(32)33)26-19(2)30-31(27(26)29-25)17-20-10-14-23(15-11-20)34-22-6-4-3-5-7-22/h4-13,15-16,18-20H,3,14,17,21H2,1-2H3;4-20H,3,21H2,1-2H3;4-13,15-16,18-20H,3,21H2,1-2H3;4,6-7,10-15,20H,3,5,8-9,16-19,21H2,1-2H3,(H,31,32);4-17H,18H2,1-3H3;3-16H,17H2,1-2H3,(H,32,33)/b;17-14+;;;;
InChIKeyMZFJWEVLUDXBOX-ISVZAWMVSA-N
XLogP37.88
TPSA423.71 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds45
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002895.41
LogP ≤ 537.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

[7-Cyclopropyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-ethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[3-(1-fluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3-fluoro-3-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 159182629
(3E)-3-[[7-(cyclopropylamino)-5-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(3-hydroxypropoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;(3E)-3-[[7-(cyclopropylamino)-5-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;methyl 3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
CID 160854298
3-(1,1-Difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol
CID 160945241
6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol
CID 160952792
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
2-[[4-[4-[4-[2-[4-Carboxy-3-methyl-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-6-yl]ethynyl]phenyl]phenoxy]phenyl]methyl]-3-methyl-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 146239132
Methyl 2-[[4-[4-[[4-methoxycarbonyl-2-[2-(4-methoxycarbonyl-3-methyl-2-phenylpyrazolo[3,4-b]pyridin-6-yl)ethyl]-3-methylpyrazolo[3,4-b]pyridin-6-yl]methyl]phenoxy]phenyl]methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 146239167
(4-Amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanone;[4-amino-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-(2-phenoxyphenyl)methanone;(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone;1-cyclopentyl-3-[fluoro-(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157092502
2-(2-Cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine
CID 157102196
Bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride
CID 157245342
tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine
CID 157309715
1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 157316183

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 159714212) is ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is CCOC(=O)c1cc(/C=C/c2ccccc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1cc(C#Cc2ccccc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1cc(CCc2ccccc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1cc(NCCN2CCCCC2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.Cc1ccc(-c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5ccccc5)cc4)c3n2)cc1.
What is the InChIKey of ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is MZFJWEVLUDXBOX-ISVZAWMVSA-N. The full InChI is InChI=1S/C31H29N3O3.C31H27N3O3.C31H25N3O3.C30H35N5O3.C29H25N3O3.C28H23N3O3/c3*1-3-36-31(35)28-20-25(17-14-23-10-6-4-7-11-23)32-30-29(28)22(2)33-34(30)21-24-15-18-27(19-16-24)37-26-12-8-5-9-13-26;1-3-37-30(36)26-20-27(31-16-19-34-17-8-5-9-18-34)32-29-28(26)22(2)33-35(29)21-23-12-14-25(15-13-23)38-24-10-6-4-7-11-24;1-19-9-13-22(14-10-19)26-17-25(29(33)34-3)27-20(2)31-32(28(27)30-26)18-21-11-15-24(16-12-21)35-23-7-5-4-6-8-23;1-18-8-12-21(13-9-18)25-16-24(28(32)33)26-19(2)30-31(27(26)29-25)17-20-10-14-23(15-11-20)34-22-6-4-3-5-7-22/h4-13,15-16,18-20H,3,14,17,21H2,1-2H3;4-20H,3,21H2,1-2H3;4-13,15-16,18-20H,3,21H2,1-2H3;4,6-7,10-15,20H,3,5,8-9,16-19,21H2,1-2H3,(H,31,32);4-17H,18H2,1-3H3;3-16H,17H2,1-2H3,(H,32,33)/b;17-14+;;;;.
What are the key properties of ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 2895.41 g/mol, XLogP of 37.88, 45 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 159714212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).