bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol

C115H129Cl4FN30O19 — CID 176521341

IUPACbis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCC1=NN=C(C)C1.CCO.CCOC(=O)c1cnc2c(c(C)nn2Cc2nnc(C)n2Cc2ccc(OC)cc2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.CCc1nnc(C)n1Cc1ccc(OC)cc1.COc1ccc(Cn2c(C)nnc2CO)cc1.COc1ccc(Cn2c(C)nnc2Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(OC)cc4)cnc32)cc1.COc1ccc(Cn2c(C)nnc2Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)cc1.O=C=O.O=C=O.[2H]CF
InChIInChI=1S/C27H26ClN7O3.C22H23ClN6O3.C20H19ClN6O3.C13H17N3O.C12H15N3O2.C10H10ClN3O2.C6H10N2.C2H6O.CH3F.2CO2/c1-16-24-25(28)22(27(36)30-19-7-11-21(38-4)12-8-19)13-29-26(24)35(33-16)15-23-32-31-17(2)34(23)14-18-5-9-20(37-3)10-6-18;1-5-32-22(30)17-10-24-21-19(20(17)23)13(2)27-29(21)12-18-26-25-14(3)28(18)11-15-6-8-16(31-4)9-7-15;1-11-17-18(21)15(20(28)29)8-22-19(17)27(25-11)10-16-24-23-12(2)26(16)9-13-4-6-14(30-3)7-5-13;1-4-13-15-14-10(2)16(13)9-11-5-7-12(17-3)8-6-11;1-9-13-14-12(8-16)15(9)7-10-3-5-11(17-2)6-4-10;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-3-6-4-5(2)7-8-6;1-2-3;1-2;2*2-1-3/h5-13H,14-15H2,1-4H3,(H,30,36);6-10H,5,11-12H2,1-4H3;4-8H,9-10H2,1-3H3,(H,28,29);5-8H,4,9H2,1-3H3;3-6,16H,7-8H2,1-2H3;4H,3H2,1-2H3,(H,12,13,14);3-4H2,1-2H3;3H,2H2,1H3;1H3;;/i;;;;;;;;1D;;
InChIKeyVKENVKALZWLOCC-CDXTWVRVSA-N
MW2397.30 g/mol
LogP17.80
Rot. Bonds32

About bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol

bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 176521341) has the molecular formula C115H129Cl4FN30O19 and a molecular weight of 2397.30 g/mol. Its IUPAC name is bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Namebis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID176521341
Molecular FormulaC115H129Cl4FN30O19
Molecular Weight2397.30 g/mol
Exact Mass2393.89
IUPAC Namebis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCC1=NN=C(C)C1.CCO.CCOC(=O)c1cnc2c(c(C)nn2Cc2nnc(C)n2Cc2ccc(OC)cc2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.CCc1nnc(C)n1Cc1ccc(OC)cc1.COc1ccc(Cn2c(C)nnc2CO)cc1.COc1ccc(Cn2c(C)nnc2Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(OC)cc4)cnc32)cc1.COc1ccc(Cn2c(C)nnc2Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)cc1.O=C=O.O=C=O.[2H]CF
InChIInChI=1S/C27H26ClN7O3.C22H23ClN6O3.C20H19ClN6O3.C13H17N3O.C12H15N3O2.C10H10ClN3O2.C6H10N2.C2H6O.CH3F.2CO2/c1-16-24-25(28)22(27(36)30-19-7-11-21(38-4)12-8-19)13-29-26(24)35(33-16)15-23-32-31-17(2)34(23)14-18-5-9-20(37-3)10-6-18;1-5-32-22(30)17-10-24-21-19(20(17)23)13(2)27-29(21)12-18-26-25-14(3)28(18)11-15-6-8-16(31-4)9-7-15;1-11-17-18(21)15(20(28)29)8-22-19(17)27(25-11)10-16-24-23-12(2)26(16)9-13-4-6-14(30-3)7-5-13;1-4-13-15-14-10(2)16(13)9-11-5-7-12(17-3)8-6-11;1-9-13-14-12(8-16)15(9)7-10-3-5-11(17-2)6-4-10;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-3-6-4-5(2)7-8-6;1-2-3;1-2;2*2-1-3/h5-13H,14-15H2,1-4H3,(H,30,36);6-10H,5,11-12H2,1-4H3;4-8H,9-10H2,1-3H3,(H,28,29);5-8H,4,9H2,1-3H3;3-6,16H,7-8H2,1-2H3;4H,3H2,1-2H3,(H,12,13,14);3-4H2,1-2H3;3H,2H2,1H3;1H3;;/i;;;;;;;;1D;;
InChIKeyVKENVKALZWLOCC-CDXTWVRVSA-N
XLogP17.80
TPSA595.09 Ų
H-Bond Donors5
H-Bond Acceptors46
Rotatable Bonds32
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002397.30
LogP ≤ 517.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1046

Analyze bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-4H-pyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane
CID 157412499
acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)
CID 157420759
tert-butyl (3R)-3-(5-amino-3-iodo-6-methylpyrazolo[3,4-b]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl N-[1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-5-yl]carbamate;diethyl 2-[1-[[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]amino]ethylidene]propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate;ethyl 1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate;bis(3-iodo-6-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine);1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]pyrazol-3-amine;1,1,1-trifluoro-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propan-2-one
CID 157857406
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 157988270
4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane
CID 158461381
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methyl-1H-pyrazol-3-yl)pyridine-3-carboxamide;5-(4-fluoro-1H-pyrazol-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methyl-1H-pyrazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158499747
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4-hydroxypiperidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-methyl-1H-imidazol-2-yl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158790696
6-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 159512479
lithium;bromomethylcyclopropane;but-3-enenitrile;4-chloro-N-(4-chlorophenyl)-1-(cyclopropylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(cyclopropylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;diethyl 2-[[[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]amino]methylidene]propanedioate;ethyl 4-chloro-1-(cyclopropylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde;hydroxide
CID 160202824
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2H-triazol-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 160269966
4-chloro-N-(4-chlorophenyl)-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-3-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 160927558
4-chloro-N-(4-chlorophenyl)-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-3-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 160951134

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol (CID 176521341) is bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol is CCC1=NN=C(C)C1.CCO.CCOC(=O)c1cnc2c(c(C)nn2Cc2nnc(C)n2Cc2ccc(OC)cc2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.CCc1nnc(C)n1Cc1ccc(OC)cc1.COc1ccc(Cn2c(C)nnc2CO)cc1.COc1ccc(Cn2c(C)nnc2Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(OC)cc4)cnc32)cc1.COc1ccc(Cn2c(C)nnc2Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)cc1.O=C=O.O=C=O.[2H]CF.
What is the InChIKey of bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is VKENVKALZWLOCC-CDXTWVRVSA-N. The full InChI is InChI=1S/C27H26ClN7O3.C22H23ClN6O3.C20H19ClN6O3.C13H17N3O.C12H15N3O2.C10H10ClN3O2.C6H10N2.C2H6O.CH3F.2CO2/c1-16-24-25(28)22(27(36)30-19-7-11-21(38-4)12-8-19)13-29-26(24)35(33-16)15-23-32-31-17(2)34(23)14-18-5-9-20(37-3)10-6-18;1-5-32-22(30)17-10-24-21-19(20(17)23)13(2)27-29(21)12-18-26-25-14(3)28(18)11-15-6-8-16(31-4)9-7-15;1-11-17-18(21)15(20(28)29)8-22-19(17)27(25-11)10-16-24-23-12(2)26(16)9-13-4-6-14(30-3)7-5-13;1-4-13-15-14-10(2)16(13)9-11-5-7-12(17-3)8-6-11;1-9-13-14-12(8-16)15(9)7-10-3-5-11(17-2)6-4-10;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-3-6-4-5(2)7-8-6;1-2-3;1-2;2*2-1-3/h5-13H,14-15H2,1-4H3,(H,30,36);6-10H,5,11-12H2,1-4H3;4-8H,9-10H2,1-3H3,(H,28,29);5-8H,4,9H2,1-3H3;3-6,16H,7-8H2,1-2H3;4H,3H2,1-2H3,(H,12,13,14);3-4H2,1-2H3;3H,2H2,1H3;1H3;;/i;;;;;;;;1D;;.
What are the key properties of bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol?
bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 2397.30 g/mol, XLogP of 17.80, 32 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);4-chloro-N-(4-methoxyphenyl)-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;ethanol;ethyl 4-chloro-1-[[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole;3-ethyl-5-methyl-4H-pyrazole;[4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 176521341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).