3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid

C97H92N10O22 — CID 158310036

IUPAC3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(OC)c3)c2c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)cc3)c2c1OC.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1OC
InChIInChI=1S/C21H22N2O5.C20H20N2O4.C19H18N2O5.C19H16N2O4.C18H16N2O4/c1-5-28-21(24)14-8-10-16-19(20(14)27-4)15(22-23-16)9-6-13-7-11-17(25-2)18(12-13)26-3;1-4-26-20(23)15-10-12-17-18(19(15)25-3)16(21-22-17)11-7-13-5-8-14(24-2)9-6-13;1-24-15-9-5-11(10-16(15)25-2)4-7-13-17-14(21-20-13)8-6-12(19(22)23)18(17)26-3;1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16;1-23-12-6-3-11(4-7-12)5-9-14-16-15(20-19-14)10-8-13(18(21)22)17(16)24-2/h6-12H,5H2,1-4H3,(H,22,23);5-12H,4H2,1-3H3,(H,21,22);4-10H,1-3H3,(H,20,21)(H,22,23);2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23);3-10H,1-2H3,(H,19,20)(H,21,22)/b9-6+;11-7+;7-4+;5-2+;9-5+
InChIKeyGNOJPLLKDFKISR-OAMOLOBYSA-N
MW1749.85 g/mol
LogP18.14
Rot. Bonds28

About 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid

3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid (PubChem CID 158310036) has the molecular formula C97H92N10O22 and a molecular weight of 1749.85 g/mol. Its IUPAC name is 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid
PubChem CID158310036
Molecular FormulaC97H92N10O22
Molecular Weight1749.85 g/mol
Exact Mass1748.64
IUPAC Name3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(OC)c3)c2c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)cc3)c2c1OC.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1OC
InChIInChI=1S/C21H22N2O5.C20H20N2O4.C19H18N2O5.C19H16N2O4.C18H16N2O4/c1-5-28-21(24)14-8-10-16-19(20(14)27-4)15(22-23-16)9-6-13-7-11-17(25-2)18(12-13)26-3;1-4-26-20(23)15-10-12-17-18(19(15)25-3)16(21-22-17)11-7-13-5-8-14(24-2)9-6-13;1-24-15-9-5-11(10-16(15)25-2)4-7-13-17-14(21-20-13)8-6-12(19(22)23)18(17)26-3;1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16;1-23-12-6-3-11(4-7-12)5-9-14-16-15(20-19-14)10-8-13(18(21)22)17(16)24-2/h6-12H,5H2,1-4H3,(H,22,23);5-12H,4H2,1-3H3,(H,21,22);4-10H,1-3H3,(H,20,21)(H,22,23);2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23);3-10H,1-2H3,(H,19,20)(H,21,22)/b9-6+;11-7+;7-4+;5-2+;9-5+
InChIKeyGNOJPLLKDFKISR-OAMOLOBYSA-N
XLogP18.14
TPSA418.66 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001749.85
LogP ≤ 518.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid with MolForge

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Related Compounds

3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 60034663
3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 60035168
3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 60053815
3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 60053870
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 68926997
methyl 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate
CID 68927007
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 68932447
ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate
CID 68932542
3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 68933123
ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate
CID 69285974
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 69286889
3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 69286928

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid (CID 158310036) is 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid is CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(OC)c3)c2c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)cc3)c2c1OC.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1OC.
What is the InChIKey of 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid?
The InChIKey is GNOJPLLKDFKISR-OAMOLOBYSA-N. The full InChI is InChI=1S/C21H22N2O5.C20H20N2O4.C19H18N2O5.C19H16N2O4.C18H16N2O4/c1-5-28-21(24)14-8-10-16-19(20(14)27-4)15(22-23-16)9-6-13-7-11-17(25-2)18(12-13)26-3;1-4-26-20(23)15-10-12-17-18(19(15)25-3)16(21-22-17)11-7-13-5-8-14(24-2)9-6-13;1-24-15-9-5-11(10-16(15)25-2)4-7-13-17-14(21-20-13)8-6-12(19(22)23)18(17)26-3;1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16;1-23-12-6-3-11(4-7-12)5-9-14-16-15(20-19-14)10-8-13(18(21)22)17(16)24-2/h6-12H,5H2,1-4H3,(H,22,23);5-12H,4H2,1-3H3,(H,21,22);4-10H,1-3H3,(H,20,21)(H,22,23);2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23);3-10H,1-2H3,(H,19,20)(H,21,22)/b9-6+;11-7+;7-4+;5-2+;9-5+.
What are the key properties of 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid?
3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid has a molecular weight of 1749.85 g/mol, XLogP of 18.14, 28 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 158310036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).