3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C120H118N18O20S — CID 159265239

IUPAC3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(CO)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12
InChIInChI=1S/C28H26N4O4.C24H27N3O4.C24H21N3O3S.C22H22N4O5.C22H22N4O4/c1-17(33)20-10-6-9-19(15-20)11-13-22-25-23(32-31-22)14-12-21(26(25)36-2)28(35)30-24(27(29)34)16-18-7-4-3-5-8-18;1-14(2)21(13-28)25-24(30)18-9-11-20-22(23(18)31-4)19(26-27-20)10-8-16-6-5-7-17(12-16)15(3)29;1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18;1-12(28)14-5-3-4-13(10-14)6-8-16-19-17(26-25-16)9-7-15(20(19)31-2)22(30)24-18(11-27)21(23)29;1-12(21(23)28)24-22(29)16-8-10-18-19(20(16)30-3)17(25-26-18)9-7-14-5-4-6-15(11-14)13(2)27/h3-15,24H,16H2,1-2H3,(H2,29,34)(H,30,35)(H,31,32);5-12,14,21,28H,13H2,1-4H3,(H,25,30)(H,26,27);3-13H,14H2,1-2H3,(H,25,29)(H,26,27);3-10,18,27H,11H2,1-2H3,(H2,23,29)(H,24,30)(H,25,26);4-12H,1-3H3,(H2,23,28)(H,24,29)(H,25,26)/b13-11+;2*10-8+;8-6+;9-7+
InChIKeyKXAARQRHWKAMCA-SFUBTVKMSA-N
MW2164.44 g/mol
LogP16.47
Rot. Bonds39

About 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 159265239) has the molecular formula C120H118N18O20S and a molecular weight of 2164.44 g/mol. Its IUPAC name is 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID159265239
Molecular FormulaC120H118N18O20S
Molecular Weight2164.44 g/mol
Exact Mass2162.85
IUPAC Name3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(CO)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12
InChIInChI=1S/C28H26N4O4.C24H27N3O4.C24H21N3O3S.C22H22N4O5.C22H22N4O4/c1-17(33)20-10-6-9-19(15-20)11-13-22-25-23(32-31-22)14-12-21(26(25)36-2)28(35)30-24(27(29)34)16-18-7-4-3-5-8-18;1-14(2)21(13-28)25-24(30)18-9-11-20-22(23(18)31-4)19(26-27-20)10-8-16-6-5-7-17(12-16)15(3)29;1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18;1-12(28)14-5-3-4-13(10-14)6-8-16-19-17(26-25-16)9-7-15(20(19)31-2)22(30)24-18(11-27)21(23)29;1-12(21(23)28)24-22(29)16-8-10-18-19(20(16)30-3)17(25-26-18)9-7-14-5-4-6-15(11-14)13(2)27/h3-15,24H,16H2,1-2H3,(H2,29,34)(H,30,35)(H,31,32);5-12,14,21,28H,13H2,1-4H3,(H,25,30)(H,26,27);3-13H,14H2,1-2H3,(H,25,29)(H,26,27);3-10,18,27H,11H2,1-2H3,(H2,23,29)(H,24,30)(H,25,26);4-12H,1-3H3,(H2,23,28)(H,24,29)(H,25,26)/b13-11+;2*10-8+;8-6+;9-7+
InChIKeyKXAARQRHWKAMCA-SFUBTVKMSA-N
XLogP16.47
TPSA590.13 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002164.44
LogP ≤ 516.47
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Analyze 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 159265239) is 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(CO)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3cccc(C(C)=O)c3)c12.
What is the InChIKey of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is KXAARQRHWKAMCA-SFUBTVKMSA-N. The full InChI is InChI=1S/C28H26N4O4.C24H27N3O4.C24H21N3O3S.C22H22N4O5.C22H22N4O4/c1-17(33)20-10-6-9-19(15-20)11-13-22-25-23(32-31-22)14-12-21(26(25)36-2)28(35)30-24(27(29)34)16-18-7-4-3-5-8-18;1-14(2)21(13-28)25-24(30)18-9-11-20-22(23(18)31-4)19(26-27-20)10-8-16-6-5-7-17(12-16)15(3)29;1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18;1-12(28)14-5-3-4-13(10-14)6-8-16-19-17(26-25-16)9-7-15(20(19)31-2)22(30)24-18(11-27)21(23)29;1-12(21(23)28)24-22(29)16-8-10-18-19(20(16)30-3)17(25-26-18)9-7-14-5-4-6-15(11-14)13(2)27/h3-15,24H,16H2,1-2H3,(H2,29,34)(H,30,35)(H,31,32);5-12,14,21,28H,13H2,1-4H3,(H,25,30)(H,26,27);3-13H,14H2,1-2H3,(H,25,29)(H,26,27);3-10,18,27H,11H2,1-2H3,(H2,23,29)(H,24,30)(H,25,26);4-12H,1-3H3,(H2,23,28)(H,24,29)(H,25,26)/b13-11+;2*10-8+;8-6+;9-7+.
What are the key properties of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 2164.44 g/mol, XLogP of 16.47, 39 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 159265239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).