3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate

C82H68FN15O12 — CID 157153291

IUPAC3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate
SMILESC=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)OC)cc12
InChIInChI=1S/C17H15N3O3.C17H15N3O2.C16H12FN3O2.C16H13N3O3.C16H13N3O2/c1-10(18-12-4-6-13(23-2)7-5-12)16-14-9-11(17(21)22)3-8-15(14)19-20-16;1-11(18-13-6-4-3-5-7-13)16-14-10-12(17(21)22-2)8-9-15(14)19-20-16;1-9(18-12-5-3-11(17)4-6-12)15-13-8-10(16(21)22)2-7-14(13)19-20-15;1-9(17-11-3-5-12(20)6-4-11)15-13-8-10(16(21)22)2-7-14(13)18-19-15;1-10(17-12-5-3-2-4-6-12)15-13-9-11(16(20)21)7-8-14(13)18-19-15/h3-9,18H,1H2,2H3,(H,19,20)(H,21,22);3-10,18H,1H2,2H3,(H,19,20);2-8,18H,1H2,(H,19,20)(H,21,22);2-8,17,20H,1H2,(H,18,19)(H,21,22);2-9,17H,1H2,(H,18,19)(H,20,21)
InChIKeyALMXFOYGWCKXCL-UHFFFAOYSA-N
MW1474.54 g/mol
LogP16.66
Rot. Bonds21

About 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate

3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate (PubChem CID 157153291) has the molecular formula C82H68FN15O12 and a molecular weight of 1474.54 g/mol. Its IUPAC name is 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate.

Molecular Properties

Compound Name3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate
PubChem CID157153291
Molecular FormulaC82H68FN15O12
Molecular Weight1474.54 g/mol
Exact Mass1473.52
IUPAC Name3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate
SMILESC=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)OC)cc12
InChIInChI=1S/C17H15N3O3.C17H15N3O2.C16H12FN3O2.C16H13N3O3.C16H13N3O2/c1-10(18-12-4-6-13(23-2)7-5-12)16-14-9-11(17(21)22)3-8-15(14)19-20-16;1-11(18-13-6-4-3-5-7-13)16-14-10-12(17(21)22-2)8-9-15(14)19-20-16;1-9(18-12-5-3-11(17)4-6-12)15-13-8-10(16(21)22)2-7-14(13)19-20-15;1-9(17-11-3-5-12(20)6-4-11)15-13-8-10(16(21)22)2-7-14(13)18-19-15;1-10(17-12-5-3-2-4-6-12)15-13-9-11(16(20)21)7-8-14(13)18-19-15/h3-9,18H,1H2,2H3,(H,19,20)(H,21,22);3-10,18H,1H2,2H3,(H,19,20);2-8,18H,1H2,(H,19,20)(H,21,22);2-8,17,20H,1H2,(H,18,19)(H,21,22);2-9,17H,1H2,(H,18,19)(H,20,21)
InChIKeyALMXFOYGWCKXCL-UHFFFAOYSA-N
XLogP16.66
TPSA408.51 Ų
H-Bond Donors15
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001474.54
LogP ≤ 516.66
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-5-methyl-1H-indazole;tert-butyl 3-(3-carbamoylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;4-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)phenol;4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide;4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
CID 162213123
tert-butyl 3-(3-acetylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;5-methyl-3-(4-methylphenyl)-1H-indazole;bis(1-[4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone)
CID 165010127
3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid
CID 129198314
[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-hydroxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 159208410
3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]phenol;N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline
CID 159262687
benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole
CID 159929353
3-[N'-(4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-indazole-5-carboxylic acid;3-[N-hydroxy-N'-(4-hydroxyphenyl)carbamimidoyl]-1H-indazole-5-carboxylic acid;N-hydroxy-N'-(4-hydroxyphenyl)-5-nitro-1H-indazole-3-carboximidamide;3-[N-hydroxy-N'-(4-methoxyphenyl)carbamimidoyl]-1H-indazole-5-carboxylic acid;N-hydroxy-N'-(4-methoxyphenyl)-5-nitro-1H-indazole-3-carboximidamide;3-(N-hydroxy-N'-phenylcarbamimidoyl)-1H-indazole-5-carboxylic acid;N-hydroxy-N'-phenyl-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;methyl 3-(N-hydroxy-N'-phenylcarbamimidoyl)-1H-indazole-5-carboxylate
CID 160175835
[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-hydroxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate
CID 160792146
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 160888285
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;5-nitro-1H-indazol-3-amine
CID 161531370
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;4-methoxy-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate;4-[1-(5-nitro-1H-indazol-3-yl)ethenylamino]benzonitrile
CID 161894260
4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[6-methoxy-3-(4-methoxyphenyl)indazol-1-yl]benzoic acid;4-[1-(4-nitrosophenyl)-2H-indazol-1-ium-3-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;hydroxide;hydrate
CID 162086768

Frequently Asked Questions

What is the IUPAC name of 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate?
The IUPAC name of 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate (CID 157153291) is 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate.
What is the SMILES notation for 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate?
The canonical SMILES for 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate is C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)OC)cc12.
What is the InChIKey of 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate?
The InChIKey is ALMXFOYGWCKXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3.C17H15N3O2.C16H12FN3O2.C16H13N3O3.C16H13N3O2/c1-10(18-12-4-6-13(23-2)7-5-12)16-14-9-11(17(21)22)3-8-15(14)19-20-16;1-11(18-13-6-4-3-5-7-13)16-14-10-12(17(21)22-2)8-9-15(14)19-20-16;1-9(18-12-5-3-11(17)4-6-12)15-13-8-10(16(21)22)2-7-14(13)19-20-15;1-9(17-11-3-5-12(20)6-4-11)15-13-8-10(16(21)22)2-7-14(13)18-19-15;1-10(17-12-5-3-2-4-6-12)15-13-9-11(16(20)21)7-8-14(13)18-19-15/h3-9,18H,1H2,2H3,(H,19,20)(H,21,22);3-10,18H,1H2,2H3,(H,19,20);2-8,18H,1H2,(H,19,20)(H,21,22);2-8,17,20H,1H2,(H,18,19)(H,21,22);2-9,17H,1H2,(H,18,19)(H,20,21).
What are the key properties of 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate?
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate has a molecular weight of 1474.54 g/mol, XLogP of 16.66, 21 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-hydroxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate is sourced from PubChem (CID 157153291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).