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

C235H211F3N26O24 — CID 161098714

IUPACethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccc(F)cc4)cc3)c(C)c12.CCOC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.CCOC(=O)c1cc(CCc2ccccc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.CCOC(=O)c1cc(NCCN2CCCCC2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.COC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccc(F)cc4)cc3)c(C)c12.COC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.Cc1ccc(-c2cc(C(=O)O)c3c(C)n(Cc4ccc(Oc5ccc(F)cc5)cc4)nc3n2)cc1.Cc1ccc(-c2cc(C(=O)O)c3c(C)n(Cc4ccc(Oc5ccccc5)cc4)nc3n2)cc1
InChIInChI=1S/C31H29N3O3.C30H26FN3O3.C30H35N5O3.C30H27N3O3.C29H24FN3O3.C29H25N3O3.C28H22FN3O3.C28H23N3O3/c1-3-36-31(35)28-20-25(17-14-23-10-6-4-7-11-23)32-30-29(28)22(2)34(33-30)21-24-15-18-27(19-16-24)37-26-12-8-5-9-13-26;1-4-36-30(35)26-17-27(22-9-5-19(2)6-10-22)32-29-28(26)20(3)34(33-29)18-21-7-13-24(14-8-21)37-25-15-11-23(31)12-16-25;1-3-37-30(36)26-20-27(31-16-19-34-17-8-5-9-18-34)32-29-28(26)22(2)35(33-29)21-23-12-14-25(15-13-23)38-24-10-6-4-7-11-24;1-4-35-30(34)26-18-27(23-14-10-20(2)11-15-23)31-29-28(26)21(3)33(32-29)19-22-12-16-25(17-13-22)36-24-8-6-5-7-9-24;1-18-4-8-21(9-5-18)26-16-25(29(34)35-3)27-19(2)33(32-28(27)31-26)17-20-6-12-23(13-7-20)36-24-14-10-22(30)11-15-24;1-19-9-13-22(14-10-19)26-17-25(29(33)34-3)27-20(2)32(31-28(27)30-26)18-21-11-15-24(16-12-21)35-23-7-5-4-6-8-23;1-17-3-7-20(8-4-17)25-15-24(28(33)34)26-18(2)32(31-27(26)30-25)16-19-5-11-22(12-6-19)35-23-13-9-21(29)10-14-23;1-18-8-12-21(13-9-18)25-16-24(28(32)33)26-19(2)31(30-27(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;5-17H,4,18H2,1-3H3;4,6-7,10-15,20H,3,5,8-9,16-19,21H2,1-2H3,(H,31,32,33);5-18H,4,19H2,1-3H3;4-16H,17H2,1-3H3;4-17H,18H2,1-3H3;3-15H,16H2,1-2H3,(H,33,34);3-16H,17H2,1-2H3,(H,32,33)
InChIKeyUIDIJXHLUCGKBR-UHFFFAOYSA-N
MW3840.42 g/mol
LogP51.27
Rot. Bonds57

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

ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 161098714) has the molecular formula C235H211F3N26O24 and a molecular weight of 3840.42 g/mol. Its IUPAC name is ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Nameethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID161098714
Molecular FormulaC235H211F3N26O24
Molecular Weight3840.42 g/mol
Exact Mass3837.60
IUPAC Nameethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccc(F)cc4)cc3)c(C)c12.CCOC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.CCOC(=O)c1cc(CCc2ccccc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.CCOC(=O)c1cc(NCCN2CCCCC2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.COC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccc(F)cc4)cc3)c(C)c12.COC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.Cc1ccc(-c2cc(C(=O)O)c3c(C)n(Cc4ccc(Oc5ccc(F)cc5)cc4)nc3n2)cc1.Cc1ccc(-c2cc(C(=O)O)c3c(C)n(Cc4ccc(Oc5ccccc5)cc4)nc3n2)cc1
InChIInChI=1S/C31H29N3O3.C30H26FN3O3.C30H35N5O3.C30H27N3O3.C29H24FN3O3.C29H25N3O3.C28H22FN3O3.C28H23N3O3/c1-3-36-31(35)28-20-25(17-14-23-10-6-4-7-11-23)32-30-29(28)22(2)34(33-30)21-24-15-18-27(19-16-24)37-26-12-8-5-9-13-26;1-4-36-30(35)26-17-27(22-9-5-19(2)6-10-22)32-29-28(26)20(3)34(33-29)18-21-7-13-24(14-8-21)37-25-15-11-23(31)12-16-25;1-3-37-30(36)26-20-27(31-16-19-34-17-8-5-9-18-34)32-29-28(26)22(2)35(33-29)21-23-12-14-25(15-13-23)38-24-10-6-4-7-11-24;1-4-35-30(34)26-18-27(23-14-10-20(2)11-15-23)31-29-28(26)21(3)33(32-29)19-22-12-16-25(17-13-22)36-24-8-6-5-7-9-24;1-18-4-8-21(9-5-18)26-16-25(29(34)35-3)27-19(2)33(32-28(27)31-26)17-20-6-12-23(13-7-20)36-24-14-10-22(30)11-15-24;1-19-9-13-22(14-10-19)26-17-25(29(33)34-3)27-20(2)32(31-28(27)30-26)18-21-11-15-24(16-12-21)35-23-7-5-4-6-8-23;1-17-3-7-20(8-4-17)25-15-24(28(33)34)26-18(2)32(31-27(26)30-25)16-19-5-11-22(12-6-19)35-23-13-9-21(29)10-14-23;1-18-8-12-21(13-9-18)25-16-24(28(32)33)26-19(2)31(30-27(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;5-17H,4,18H2,1-3H3;4,6-7,10-15,20H,3,5,8-9,16-19,21H2,1-2H3,(H,31,32,33);5-18H,4,19H2,1-3H3;4-16H,17H2,1-3H3;4-17H,18H2,1-3H3;3-15H,16H2,1-2H3,(H,33,34);3-16H,17H2,1-2H3,(H,32,33)
InChIKeyUIDIJXHLUCGKBR-UHFFFAOYSA-N
XLogP51.27
TPSA567.19 Ų
H-Bond Donors3
H-Bond Acceptors48
Rotatable Bonds57
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003840.42
LogP ≤ 551.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

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

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Related Compounds

1-[4-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethanone;3-(3,5-dimethoxyphenyl)-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 157132313
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-1-propanoylpyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;propanoic acid
CID 157298755
bis(2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetic acid);4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;N-[(6-ethyl-3-pyridinyl)methyl]-5-fluoro-N-methyl-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 157668820
[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 157728761
3-(3-hydroxyphenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-morpholin-4-ylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-phenylmethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoic acid;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
CID 157860152
7-N-benzyl-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157920519
acetic acid;N-[[6-(azepan-1-yl)-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]-1-phenylmethanamine;N-cyclohexyl-1-methyl-5-piperidin-1-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)benzamide;1-methyl-6-[(2-phenylphenyl)methoxy]-N-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine-3-carboxamide;hexakis(2,2,2-trifluoroacetic acid);hydrochloride
CID 157929419
CID 158002486
CID 158002486
N-[2-(dimethylamino)ethyl]-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 158122701
CID 158313463
CID 158313463
N-[2-(dimethylamino)ethyl]-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158354776

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 161098714) is ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is CCOC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccc(F)cc4)cc3)c(C)c12.CCOC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.CCOC(=O)c1cc(CCc2ccccc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.CCOC(=O)c1cc(NCCN2CCCCC2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.COC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccc(F)cc4)cc3)c(C)c12.COC(=O)c1cc(-c2ccc(C)cc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12.Cc1ccc(-c2cc(C(=O)O)c3c(C)n(Cc4ccc(Oc5ccc(F)cc5)cc4)nc3n2)cc1.Cc1ccc(-c2cc(C(=O)O)c3c(C)n(Cc4ccc(Oc5ccccc5)cc4)nc3n2)cc1.
What is the InChIKey of ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is UIDIJXHLUCGKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3.C30H26FN3O3.C30H35N5O3.C30H27N3O3.C29H24FN3O3.C29H25N3O3.C28H22FN3O3.C28H23N3O3/c1-3-36-31(35)28-20-25(17-14-23-10-6-4-7-11-23)32-30-29(28)22(2)34(33-30)21-24-15-18-27(19-16-24)37-26-12-8-5-9-13-26;1-4-36-30(35)26-17-27(22-9-5-19(2)6-10-22)32-29-28(26)20(3)34(33-29)18-21-7-13-24(14-8-21)37-25-15-11-23(31)12-16-25;1-3-37-30(36)26-20-27(31-16-19-34-17-8-5-9-18-34)32-29-28(26)22(2)35(33-29)21-23-12-14-25(15-13-23)38-24-10-6-4-7-11-24;1-4-35-30(34)26-18-27(23-14-10-20(2)11-15-23)31-29-28(26)21(3)33(32-29)19-22-12-16-25(17-13-22)36-24-8-6-5-7-9-24;1-18-4-8-21(9-5-18)26-16-25(29(34)35-3)27-19(2)33(32-28(27)31-26)17-20-6-12-23(13-7-20)36-24-14-10-22(30)11-15-24;1-19-9-13-22(14-10-19)26-17-25(29(33)34-3)27-20(2)32(31-28(27)30-26)18-21-11-15-24(16-12-21)35-23-7-5-4-6-8-23;1-17-3-7-20(8-4-17)25-15-24(28(33)34)26-18(2)32(31-27(26)30-25)16-19-5-11-22(12-6-19)35-23-13-9-21(29)10-14-23;1-18-8-12-21(13-9-18)25-16-24(28(32)33)26-19(2)31(30-27(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;5-17H,4,18H2,1-3H3;4,6-7,10-15,20H,3,5,8-9,16-19,21H2,1-2H3,(H,31,32,33);5-18H,4,19H2,1-3H3;4-16H,17H2,1-3H3;4-17H,18H2,1-3H3;3-15H,16H2,1-2H3,(H,33,34);3-16H,17H2,1-2H3,(H,32,33).
What are the key properties of ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 3840.42 g/mol, XLogP of 51.27, 57 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 161098714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).