3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone

C103H107FN20O7 — CID 160888285

IUPAC3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESC=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccc(OC)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)N3CCN(CCC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C23H27N5O.C22H24N4O2.C21H21FN4O.C21H22N4O.C16H13N3O2/c1-3-11-27-12-14-28(15-13-27)23(29)18-9-10-21-20(16-18)22(26-25-21)17(2)24-19-7-5-4-6-8-19;1-15(23-17-7-9-18(28-2)10-8-17)21-19-14-16(6-11-20(19)24-25-21)22(27)26-12-4-3-5-13-26;1-14(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/h4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);6-11,14,23H,1,3-5,12-13H2,2H3,(H,24,25);5-10,13,23H,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)
InChIKeySNXSLUQDFFYYSD-UHFFFAOYSA-N
MW1756.12 g/mol
LogP20.12
Rot. Bonds23

About 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone

3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 160888285) has the molecular formula C103H107FN20O7 and a molecular weight of 1756.12 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-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone
PubChem CID160888285
Molecular FormulaC103H107FN20O7
Molecular Weight1756.12 g/mol
Exact Mass1754.86
IUPAC Name3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESC=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccc(OC)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)N3CCN(CCC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C23H27N5O.C22H24N4O2.C21H21FN4O.C21H22N4O.C16H13N3O2/c1-3-11-27-12-14-28(15-13-27)23(29)18-9-10-21-20(16-18)22(26-25-21)17(2)24-19-7-5-4-6-8-19;1-15(23-17-7-9-18(28-2)10-8-17)21-19-14-16(6-11-20(19)24-25-21)22(27)26-12-4-3-5-13-26;1-14(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/h4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);6-11,14,23H,1,3-5,12-13H2,2H3,(H,24,25);5-10,13,23H,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)
InChIKeySNXSLUQDFFYYSD-UHFFFAOYSA-N
XLogP20.12
TPSA334.56 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001756.12
LogP ≤ 520.12
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone with MolForge

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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-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone (CID 160888285) is 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone.
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-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone is C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccc(OC)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)N3CCN(CCC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=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-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is SNXSLUQDFFYYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.C22H24N4O2.C21H21FN4O.C21H22N4O.C16H13N3O2/c1-3-11-27-12-14-28(15-13-27)23(29)18-9-10-21-20(16-18)22(26-25-21)17(2)24-19-7-5-4-6-8-19;1-15(23-17-7-9-18(28-2)10-8-17)21-19-14-16(6-11-20(19)24-25-21)22(27)26-12-4-3-5-13-26;1-14(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/h4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);6-11,14,23H,1,3-5,12-13H2,2H3,(H,24,25);5-10,13,23H,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).
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-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone?
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 1756.12 g/mol, XLogP of 20.12, 23 rotatable bonds, 11 hydrogen bond donors, and 17 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-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 160888285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).