[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

C97H95FN18O9 — CID 160792146

About [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

[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 (PubChem CID 160792146) has the molecular formula C97H95FN18O9 and a molecular weight of 1675.94 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 160792146
• Molecular Formula: C97H95FN18O9
• Molecular Weight: 1675.94 g/mol
• Exact Mass: 1674.75
• IUPAC Name: [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
• SMILES: C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)OC)cc12
• InChI: InChI=1S/C21H21FN4O.C21H22N4O2.C21H22N4O.C17H15N3O3.C17H15N3O2/c1-14(23-17-8-6-16(22)7-9-17)20-18-13-15(5-10-19(18)24-25-20)21(27)26-11-3-2-4-12-26;1-14(22-16-6-8-17(26)9-7-16)20-18-13-15(5-10-19(18)23-24-20)21(27)25-11-3-2-4-12-25;1-15(22-17-8-4-2-5-9-17)20-18-14-16(10-11-19(18)23-24-20)21(26)25-12-6-3-7-13-25;1-10(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/h5-10,13,23H,1-4,11-12H2,(H,24,25);5-10,13,22,26H,1-4,11-12H2,(H,23,24);2,4-5,8-11,14,22H,1,3,6-7,12-13H2,(H,23,24);3-9,18H,1H2,2H3,(H,19,20)(H,21,22);3-10,18H,1H2,2H3,(H,19,20)
• InChIKey: SBYUUAJYVONNLZ-UHFFFAOYSA-N
• XLogP: 19.44
• TPSA: 357.54 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1675.94
LogP ≤ 5	19.44
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)O)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)OC)cc12.

What is the InChIKey of [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?

The InChIKey is SBYUUAJYVONNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O.C21H22N4O2.C21H22N4O.C17H15N3O3.C17H15N3O2/c1-14(23-17-8-6-16(22)7-9-17)20-18-13-15(5-10-19(18)24-25-20)21(27)26-11-3-2-4-12-26;1-14(22-16-6-8-17(26)9-7-16)20-18-13-15(5-10-19(18)23-24-20)21(27)25-11-3-2-4-12-25;1-15(22-17-8-4-2-5-9-17)20-18-14-16(10-11-19(18)23-24-20)21(26)25-12-6-3-7-13-25;1-10(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/h5-10,13,23H,1-4,11-12H2,(H,24,25);5-10,13,22,26H,1-4,11-12H2,(H,23,24);2,4-5,8-11,14,22H,1,3,6-7,12-13H2,(H,23,24);3-9,18H,1H2,2H3,(H,19,20)(H,21,22);3-10,18H,1H2,2H3,(H,19,20).

What are the key properties of [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?

[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 has a molecular weight of 1675.94 g/mol, XLogP of 19.44, 21 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 160792146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).