[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid

C118H139N25O14 — CID 161060696

IUPAC[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid
SMILESC=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)N3CCN(CCn4ccnc4)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCOCCOCCN)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)O)cc12)c1ccccc1.C=C(Nc1n[nH]c2ccc(C(=O)OC)cc12)c1ccccc1.CCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C26H29N7O2.C26H34N6O3.C22H25N5O.C17H15N3O2.C16H13N3O2.C11H23NO4/c1-19(28-21-4-6-22(35-2)7-5-21)25-23-17-20(3-8-24(23)29-30-25)26(34)33-15-13-31(14-16-33)11-12-32-10-9-27-18-32;1-20(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;1-3-26-11-13-27(14-12-26)22(28)17-9-10-20-19(15-17)21(25-24-20)16(2)23-18-7-5-4-6-8-18;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;1-5-14-8-9-15-7-6-12-10(13)16-11(2,3)4/h3-10,17-18,28H,1,11-16H2,2H3,(H,29,30);2-8,19,28H,1,9-18,27H2,(H,29,30);4-10,15,23H,2-3,11-14H2,1H3,(H,24,25);3-10H,1H2,2H3,(H2,18,19,20);2-9H,1H2,(H,20,21)(H2,17,18,19);5-9H2,1-4H3,(H,12,13)
InChIKeyUDIVRDALDIIQQF-UHFFFAOYSA-N
MW2131.57 g/mol
LogP17.47
Rot. Bonds40

About [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid

[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid (PubChem CID 161060696) has the molecular formula C118H139N25O14 and a molecular weight of 2131.57 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-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid
PubChem CID161060696
Molecular FormulaC118H139N25O14
Molecular Weight2131.57 g/mol
Exact Mass2130.09
IUPAC Name[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid
SMILESC=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)N3CCN(CCn4ccnc4)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCOCCOCCN)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)O)cc12)c1ccccc1.C=C(Nc1n[nH]c2ccc(C(=O)OC)cc12)c1ccccc1.CCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C26H29N7O2.C26H34N6O3.C22H25N5O.C17H15N3O2.C16H13N3O2.C11H23NO4/c1-19(28-21-4-6-22(35-2)7-5-21)25-23-17-20(3-8-24(23)29-30-25)26(34)33-15-13-31(14-16-33)11-12-32-10-9-27-18-32;1-20(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;1-3-26-11-13-27(14-12-26)22(28)17-9-10-20-19(15-17)21(25-24-20)16(2)23-18-7-5-4-6-8-18;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;1-5-14-8-9-15-7-6-12-10(13)16-11(2,3)4/h3-10,17-18,28H,1,11-16H2,2H3,(H,29,30);2-8,19,28H,1,9-18,27H2,(H,29,30);4-10,15,23H,2-3,11-14H2,1H3,(H,24,25);3-10H,1H2,2H3,(H2,18,19,20);2-9H,1H2,(H,20,21)(H2,17,18,19);5-9H2,1-4H3,(H,12,13)
InChIKeyUDIVRDALDIIQQF-UHFFFAOYSA-N
XLogP17.47
TPSA466.12 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002131.57
LogP ≤ 517.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid with MolForge

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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-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid?
The IUPAC name of [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid (CID 161060696) is [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid.
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-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid?
The canonical SMILES for [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid is C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)N3CCN(CCn4ccnc4)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCOCCOCCN)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)O)cc12)c1ccccc1.C=C(Nc1n[nH]c2ccc(C(=O)OC)cc12)c1ccccc1.CCOCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of [4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid?
The InChIKey is UDIVRDALDIIQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2.C26H34N6O3.C22H25N5O.C17H15N3O2.C16H13N3O2.C11H23NO4/c1-19(28-21-4-6-22(35-2)7-5-21)25-23-17-20(3-8-24(23)29-30-25)26(34)33-15-13-31(14-16-33)11-12-32-10-9-27-18-32;1-20(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;1-3-26-11-13-27(14-12-26)22(28)17-9-10-20-19(15-17)21(25-24-20)16(2)23-18-7-5-4-6-8-18;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;1-5-14-8-9-15-7-6-12-10(13)16-11(2,3)4/h3-10,17-18,28H,1,11-16H2,2H3,(H,29,30);2-8,19,28H,1,9-18,27H2,(H,29,30);4-10,15,23H,2-3,11-14H2,1H3,(H,24,25);3-10H,1H2,2H3,(H2,18,19,20);2-9H,1H2,(H,20,21)(H2,17,18,19);5-9H2,1-4H3,(H,12,13).
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-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid?
[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid has a molecular weight of 2131.57 g/mol, XLogP of 17.47, 40 rotatable bonds, 13 hydrogen bond donors, and 29 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-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-ethylpiperazin-1-yl)methanone;tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate;[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]methanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 161060696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).