[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone

C93H100N20O9 — CID 159448025

About [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone

[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 159448025) has the molecular formula C93H100N20O9 and a molecular weight of 1641.95 g/mol. Its IUPAC name is [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
• PubChem CID: 159448025
• Molecular Formula: C93H100N20O9
• Molecular Weight: 1641.95 g/mol
• Exact Mass: 1640.80
• IUPAC Name: [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
• SMILES: C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCOCCOCCN)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.C=C(Nc1n[nH]c2ccc(C(=O)O)cc12)c1ccccc1.C=C(Nc1n[nH]c2ccc(C(=O)OC)cc12)c1ccccc1.Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12
• InChI: InChI=1S/C26H34N6O3.C21H22N4O.C17H15N3O2.C16H13N3O2.C13H16N4O/c1-20(28-22-5-3-2-4-6-22)25-23-19-21(7-8-24(23)29-30-25)26(33)32-12-10-31(11-13-32)14-16-35-18-17-34-15-9-27;1-15(16-8-4-2-5-9-16)22-20-18-14-17(10-11-19(18)23-24-20)21(26)25-12-6-3-7-13-25;1-11(12-6-4-3-5-7-12)18-16-14-10-13(17(21)22-2)8-9-15(14)19-20-16;1-10(11-5-3-2-4-6-11)17-15-13-9-12(16(20)21)7-8-14(13)18-19-15;14-12-10-8-9(4-5-11(10)15-16-12)13(18)17-6-2-1-3-7-17/h2-8,19,28H,1,9-18,27H2,(H,29,30);2,4-5,8-11,14H,1,3,6-7,12-13H2,(H2,22,23,24);3-10H,1H2,2H3,(H2,18,19,20);2-9H,1H2,(H,20,21)(H2,17,18,19);4-5,8H,1-3,6-7H2,(H3,14,15,16)
• InChIKey: LSZVNMBVWYXOGW-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 389.79 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1641.95
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?

The IUPAC name of [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone (CID 159448025) is [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone is C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCOCCOCCN)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.C=C(Nc1n[nH]c2ccc(C(=O)O)cc12)c1ccccc1.C=C(Nc1n[nH]c2ccc(C(=O)OC)cc12)c1ccccc1.Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.

What is the InChIKey of [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?

The InChIKey is LSZVNMBVWYXOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3.C21H22N4O.C17H15N3O2.C16H13N3O2.C13H16N4O/c1-20(28-22-5-3-2-4-6-22)25-23-19-21(7-8-24(23)29-30-25)26(33)32-12-10-31(11-13-32)14-16-35-18-17-34-15-9-27;1-15(16-8-4-2-5-9-16)22-20-18-14-17(10-11-19(18)23-24-20)21(26)25-12-6-3-7-13-25;1-11(12-6-4-3-5-7-12)18-16-14-10-13(17(21)22-2)8-9-15(14)19-20-16;1-10(11-5-3-2-4-6-11)17-15-13-9-12(16(20)21)7-8-14(13)18-19-15;14-12-10-8-9(4-5-11(10)15-16-12)13(18)17-6-2-1-3-7-17/h2-8,19,28H,1,9-18,27H2,(H,29,30);2,4-5,8-11,14H,1,3,6-7,12-13H2,(H2,22,23,24);3-10H,1H2,2H3,(H2,18,19,20);2-9H,1H2,(H,20,21)(H2,17,18,19);4-5,8H,1-3,6-7H2,(H3,14,15,16).

What are the key properties of [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?

[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 1641.95 g/mol, XLogP of 15.21, 25 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159448025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).