[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone

C89H100N18O6 — CID 158510262

IUPAC[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESC=C(Nc1ccc(OC)cc1)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)N3CCN(CCOC)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1
InChIInChI=1S/C23H27N5O2.C23H27N5O.C22H24N4O2.C21H22N4O/c1-17(24-19-6-4-3-5-7-19)22-20-16-18(8-9-21(20)25-26-22)23(29)28-12-10-27(11-13-28)14-15-30-2;1-3-11-27-12-14-28(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;1-15(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/h3-9,16,24H,1,10-15H2,2H3,(H,25,26);4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);6-11,14,23H,1,3-5,12-13H2,2H3,(H,24,25);2,4-5,8-11,14H,1,3,6-7,12-13H2,(H2,22,23,24)
InChIKeyHKYRDTNQFOMXLZ-UHFFFAOYSA-N
MW1517.90 g/mol
LogP15.42
Rot. Bonds22

About [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone

[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 158510262) has the molecular formula C89H100N18O6 and a molecular weight of 1517.90 g/mol. Its IUPAC name is [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
PubChem CID158510262
Molecular FormulaC89H100N18O6
Molecular Weight1517.90 g/mol
Exact Mass1516.81
IUPAC Name[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESC=C(Nc1ccc(OC)cc1)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)N3CCN(CCOC)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1
InChIInChI=1S/C23H27N5O2.C23H27N5O.C22H24N4O2.C21H22N4O/c1-17(24-19-6-4-3-5-7-19)22-20-16-18(8-9-21(20)25-26-22)23(29)28-12-10-27(11-13-28)14-15-30-2;1-3-11-27-12-14-28(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;1-15(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/h3-9,16,24H,1,10-15H2,2H3,(H,25,26);4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);6-11,14,23H,1,3-5,12-13H2,2H3,(H,24,25);2,4-5,8-11,14H,1,3,6-7,12-13H2,(H2,22,23,24)
InChIKeyHKYRDTNQFOMXLZ-UHFFFAOYSA-N
XLogP15.42
TPSA269.02 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001517.90
LogP ≤ 515.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

3-(4-Methyl-piperazin-1-yl)-1H-indazole-5-carboxylic acid (4-benzyloxy-phenyl)-amide
CID 24988745
N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 158340369
benzyl 3-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate;benzyl 2-[4-[5-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-pyrrol-3-yl]phenyl]acetate;benzyl 3-[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate;benzyl 3-[4-[3-[[4-(3-pyrrolidin-1-ylpropoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]propanoate;4-(2-morpholin-4-ylethoxy)-N-[5-[4-(3-oxoheptyl)phenyl]-1H-pyrazol-3-yl]benzamide;phenyl N-[2-methyl-4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate;phenyl 2-[4-[5-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-pyrrol-3-yl]phenyl]acetate
CID 158697982
N-[5-(3-fluorophenoxy)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;4-(4-methylpiperazin-1-yl)-N-[5-(4-phenylmethoxyphenoxy)-1H-indazol-3-yl]benzamide
CID 158841599
[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-hydroxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 159208410
[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
acetonitrile;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-[(4-methoxyphenyl)methyl]amino]ethyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide;2-(2,6-dioxopiperidin-3-yl)-5-[(4-methoxyphenyl)methyl-propylamino]isoindole-1,3-dione
CID 159492416
lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline
CID 159864075
[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 159918166
N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide
CID 159979992
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-2-(3-fluoropropyl)-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide
CID 160204881
lithium;methane;3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate;3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)-1H-indazole-6-carboxamide;4-phenylmethoxyaniline
CID 160214815

Frequently Asked Questions

What is the IUPAC name of [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone (CID 158510262) is [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone is C=C(Nc1ccc(OC)cc1)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)N3CCN(CCOC)CC3)cc12.C=C(Nc1n[nH]c2ccc(C(=O)N3CCCCC3)cc12)c1ccccc1.
What is the InChIKey of [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is HKYRDTNQFOMXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.C23H27N5O.C22H24N4O2.C21H22N4O/c1-17(24-19-6-4-3-5-7-19)22-20-16-18(8-9-21(20)25-26-22)23(29)28-12-10-27(11-13-28)14-15-30-2;1-3-11-27-12-14-28(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;1-15(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/h3-9,16,24H,1,10-15H2,2H3,(H,25,26);4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);6-11,14,23H,1,3-5,12-13H2,2H3,(H,24,25);2,4-5,8-11,14H,1,3,6-7,12-13H2,(H2,22,23,24).
What are the key properties of [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone?
[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 1517.90 g/mol, XLogP of 15.42, 22 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 158510262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).