3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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

C87H74ClFN18O14S — CID 158226729

IUPAC3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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
SMILESC=C(Cl)c1n[nH]c2ccc(C(=O)O)cc12.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(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12.C=Cc1n[nH]c2ccc(C(=O)O)cc12.O=C(NC1CCNCC1)c1ccc2[nH]nc(NS(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C19H21N5O3S.C16H12FN3O2.C16H13N3O3.C16H13N3O2.C10H7ClN2O2.C10H8N2O2/c25-19(21-14-8-10-20-11-9-14)13-6-7-17-16(12-13)18(23-22-17)24-28(26,27)15-4-2-1-3-5-15;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;1-5(11)9-7-4-6(10(14)15)2-3-8(7)12-13-9;1-2-8-7-5-6(10(13)14)3-4-9(7)12-11-8/h1-7,12,14,20H,8-11H2,(H,21,25)(H2,22,23,24);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);2-4H,1H2,(H,12,13)(H,14,15);2-5H,1H2,(H,11,12)(H,13,14)
InChIKeyGDWQQGGEXZEOPK-UHFFFAOYSA-N
MW1682.18 g/mol
LogP16.10
Rot. Bonds21

About 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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 (PubChem CID 158226729) has the molecular formula C87H74ClFN18O14S and a molecular weight of 1682.18 g/mol. Its IUPAC name is 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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.

Molecular Properties

Compound Name3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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
PubChem CID158226729
Molecular FormulaC87H74ClFN18O14S
Molecular Weight1682.18 g/mol
Exact Mass1680.50
IUPAC Name3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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
SMILESC=C(Cl)c1n[nH]c2ccc(C(=O)O)cc12.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(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12.C=Cc1n[nH]c2ccc(C(=O)O)cc12.O=C(NC1CCNCC1)c1ccc2[nH]nc(NS(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C19H21N5O3S.C16H12FN3O2.C16H13N3O3.C16H13N3O2.C10H7ClN2O2.C10H8N2O2/c25-19(21-14-8-10-20-11-9-14)13-6-7-17-16(12-13)18(23-22-17)24-28(26,27)15-4-2-1-3-5-15;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;1-5(11)9-7-4-6(10(14)15)2-3-8(7)12-13-9;1-2-8-7-5-6(10(13)14)3-4-9(7)12-11-8/h1-7,12,14,20H,8-11H2,(H,21,25)(H2,22,23,24);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);2-4H,1H2,(H,12,13)(H,14,15);2-5H,1H2,(H,11,12)(H,13,14)
InChIKeyGDWQQGGEXZEOPK-UHFFFAOYSA-N
XLogP16.10
TPSA502.20 Ų
H-Bond Donors18
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001682.18
LogP ≤ 516.10
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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?
The IUPAC name of 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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 (CID 158226729) is 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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.
What is the SMILES notation for 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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?
The canonical SMILES for 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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 is C=C(Cl)c1n[nH]c2ccc(C(=O)O)cc12.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(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12.C=Cc1n[nH]c2ccc(C(=O)O)cc12.O=C(NC1CCNCC1)c1ccc2[nH]nc(NS(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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?
The InChIKey is GDWQQGGEXZEOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S.C16H12FN3O2.C16H13N3O3.C16H13N3O2.C10H7ClN2O2.C10H8N2O2/c25-19(21-14-8-10-20-11-9-14)13-6-7-17-16(12-13)18(23-22-17)24-28(26,27)15-4-2-1-3-5-15;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;1-5(11)9-7-4-6(10(14)15)2-3-8(7)12-13-9;1-2-8-7-5-6(10(13)14)3-4-9(7)12-11-8/h1-7,12,14,20H,8-11H2,(H,21,25)(H2,22,23,24);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);2-4H,1H2,(H,12,13)(H,14,15);2-5H,1H2,(H,11,12)(H,13,14).
What are the key properties of 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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 has a molecular weight of 1682.18 g/mol, XLogP of 16.10, 21 rotatable bonds, 18 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;3-(benzenesulfonamido)-N-piperidin-4-yl-1H-indazole-5-carboxamide;3-(1-chloroethenyl)-1H-indazole-5-carboxylic acid;3-ethenyl-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 is sourced from PubChem (CID 158226729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).