3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide

C103H92FN11O21 — CID 157052007

IUPAC3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c2c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc4occc4c3)c2c1OC.COc1c(C(=O)N[C@@H]2CCCC[C@H]2O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4occc4c3)c12
InChIInChI=1S/C23H24FN3O3.C21H20N2O5.C21H18N2O4.C19H16N2O5.C19H14N2O4/c1-30-22-16(23(29)25-17-4-2-3-5-20(17)28)11-13-19-21(22)18(26-27-19)12-8-14-6-9-15(24)10-7-14;1-3-26-21(24)14-6-8-16-19(20(14)25-2)15(22-23-16)7-4-13-5-9-17-18(12-13)28-11-10-27-17;1-3-26-21(24)15-6-8-17-19(20(15)25-2)16(22-23-17)7-4-13-5-9-18-14(12-13)10-11-27-18;1-24-18-12(19(22)23)4-6-14-17(18)13(20-21-14)5-2-11-3-7-15-16(10-11)26-9-8-25-15;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/h6-13,17,20,28H,2-5H2,1H3,(H,25,29)(H,26,27);4-9,12H,3,10-11H2,1-2H3,(H,22,23);4-12H,3H2,1-2H3,(H,22,23);2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23);2-10H,1H3,(H,20,21)(H,22,23)/b12-8+;2*7-4+;2*5-2+/t17-,20-;;;;/m1..../s1
InChIKeyAAHVYSVVLAPHMI-IFTDZLGVSA-N
MW1838.92 g/mol
LogP19.67
Rot. Bonds23

About 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide

3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 157052007) has the molecular formula C103H92FN11O21 and a molecular weight of 1838.92 g/mol. Its IUPAC name is 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
PubChem CID157052007
Molecular FormulaC103H92FN11O21
Molecular Weight1838.92 g/mol
Exact Mass1837.65
IUPAC Name3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c2c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc4occc4c3)c2c1OC.COc1c(C(=O)N[C@@H]2CCCC[C@H]2O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4occc4c3)c12
InChIInChI=1S/C23H24FN3O3.C21H20N2O5.C21H18N2O4.C19H16N2O5.C19H14N2O4/c1-30-22-16(23(29)25-17-4-2-3-5-20(17)28)11-13-19-21(22)18(26-27-19)12-8-14-6-9-15(24)10-7-14;1-3-26-21(24)14-6-8-16-19(20(14)25-2)15(22-23-16)7-4-13-5-9-17-18(12-13)28-11-10-27-17;1-3-26-21(24)15-6-8-17-19(20(15)25-2)16(22-23-17)7-4-13-5-9-18-14(12-13)10-11-27-18;1-24-18-12(19(22)23)4-6-14-17(18)13(20-21-14)5-2-11-3-7-15-16(10-11)26-9-8-25-15;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/h6-13,17,20,28H,2-5H2,1H3,(H,25,29)(H,26,27);4-9,12H,3,10-11H2,1-2H3,(H,22,23);4-12H,3H2,1-2H3,(H,22,23);2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23);2-10H,1H3,(H,20,21)(H,22,23)/b12-8+;2*7-4+;2*5-2+/t17-,20-;;;;/m1..../s1
InChIKeyAAHVYSVVLAPHMI-IFTDZLGVSA-N
XLogP19.67
TPSA429.28 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001838.92
LogP ≤ 519.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160081203
N-cyclopropyl-3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160581110
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide
CID 157162028
N-cyclopropyl-3-[(E)-2-[4-(2-hydroxyethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 157248359
4-(3-amino-3-oxopropoxy)-N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide
CID 157436271
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 157446583
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide
CID 157456494
N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide
CID 157496689
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carbonitrile;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 157588669
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 157635280
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2-fluorophenyl)methyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide
CID 157653918
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide
CID 157780159

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide (CID 157052007) is 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide is CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c2c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc4occc4c3)c2c1OC.COc1c(C(=O)N[C@@H]2CCCC[C@H]2O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc4occc4c3)c12.
What is the InChIKey of 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is AAHVYSVVLAPHMI-IFTDZLGVSA-N. The full InChI is InChI=1S/C23H24FN3O3.C21H20N2O5.C21H18N2O4.C19H16N2O5.C19H14N2O4/c1-30-22-16(23(29)25-17-4-2-3-5-20(17)28)11-13-19-21(22)18(26-27-19)12-8-14-6-9-15(24)10-7-14;1-3-26-21(24)14-6-8-16-19(20(14)25-2)15(22-23-16)7-4-13-5-9-17-18(12-13)28-11-10-27-17;1-3-26-21(24)15-6-8-17-19(20(15)25-2)16(22-23-17)7-4-13-5-9-18-14(12-13)10-11-27-18;1-24-18-12(19(22)23)4-6-14-17(18)13(20-21-14)5-2-11-3-7-15-16(10-11)26-9-8-25-15;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/h6-13,17,20,28H,2-5H2,1H3,(H,25,29)(H,26,27);4-9,12H,3,10-11H2,1-2H3,(H,22,23);4-12H,3H2,1-2H3,(H,22,23);2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23);2-10H,1H3,(H,20,21)(H,22,23)/b12-8+;2*7-4+;2*5-2+/t17-,20-;;;;/m1..../s1.
What are the key properties of 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide?
3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 1838.92 g/mol, XLogP of 19.67, 23 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 157052007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).