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;5-nitro-1H-indazol-3-amine

C65H62FN15O6 — CID 158167655

About 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;5-nitro-1H-indazol-3-amine

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;5-nitro-1H-indazol-3-amine (PubChem CID 158167655) has the molecular formula C65H62FN15O6 and a molecular weight of 1168.31 g/mol. Its IUPAC name is 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;5-nitro-1H-indazol-3-amine.

Molecular Properties

• Compound Name: 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;5-nitro-1H-indazol-3-amine
• PubChem CID: 158167655
• Molecular Formula: C65H62FN15O6
• Molecular Weight: 1168.31 g/mol
• Exact Mass: 1167.50
• IUPAC Name: 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;5-nitro-1H-indazol-3-amine
• SMILES: C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12.Nc1n[nH]c2ccc([N+](=O)[O-])cc12
• InChI: InChI=1S/C21H21FN4O.C21H22N4O.C16H13N3O2.C7H6N4O2/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;1-15(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(17-12-5-3-2-4-6-12)15-13-9-11(16(20)21)7-8-14(13)18-19-15;8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h5-10,13,23H,1-4,11-12H2,(H,24,25);2,4-5,8-11,14,22H,1,3,6-7,12-13H2,(H,23,24);2-9,17H,1H2,(H,18,19)(H,20,21);1-3H,(H3,8,9,10)
• InChIKey: FXAVQCUKTBIXAQ-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 297.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1168.31
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;5-nitro-1H-indazol-3-amine?

The IUPAC name of 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;5-nitro-1H-indazol-3-amine (CID 158167655) is 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;5-nitro-1H-indazol-3-amine.

What is the SMILES notation for 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;5-nitro-1H-indazol-3-amine?

The canonical SMILES for 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;5-nitro-1H-indazol-3-amine is C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12.Nc1n[nH]c2ccc([N+](=O)[O-])cc12.

What is the InChIKey of 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;5-nitro-1H-indazol-3-amine?

The InChIKey is FXAVQCUKTBIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O.C21H22N4O.C16H13N3O2.C7H6N4O2/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;1-15(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(17-12-5-3-2-4-6-12)15-13-9-11(16(20)21)7-8-14(13)18-19-15;8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h5-10,13,23H,1-4,11-12H2,(H,24,25);2,4-5,8-11,14,22H,1,3,6-7,12-13H2,(H,23,24);2-9,17H,1H2,(H,18,19)(H,20,21);1-3H,(H3,8,9,10).

What are the key properties of 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;5-nitro-1H-indazol-3-amine?

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;5-nitro-1H-indazol-3-amine has a molecular weight of 1168.31 g/mol, XLogP of 13.08, 13 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 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;5-nitro-1H-indazol-3-amine is sourced from PubChem (CID 158167655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).