3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide

C131H128N16O19 — CID 158878445

IUPAC3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(CO)c3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(N(C)C)c3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)N[C@H](CO)c4ccccc4)c(OC)c23)cc1.COc1cccc(/C=C/c2[nH]nc3ccc(C(=O)N[C@H](CO)c4ccccc4)c(OC)c23)c1.COc1ccccc1/C=C/c1[nH]nc2ccc(C(=O)N[C@H](CO)c3ccccc3)c(OC)c12
InChIInChI=1S/C27H28N4O3.4C26H25N3O4/c1-31(2)20-11-7-8-18(16-20)12-14-22-25-23(30-29-22)15-13-21(26(25)34-3)27(33)28-24(17-32)19-9-5-4-6-10-19;1-32-19-10-6-7-17(15-19)11-13-21-24-22(29-28-21)14-12-20(25(24)33-2)26(31)27-23(16-30)18-8-4-3-5-9-18;1-32-23-11-7-6-10-18(23)12-14-20-24-21(29-28-20)15-13-19(25(24)33-2)26(31)27-22(16-30)17-8-4-3-5-9-17;1-32-19-11-8-17(9-12-19)10-14-21-24-22(29-28-21)15-13-20(25(24)33-2)26(31)27-23(16-30)18-6-4-3-5-7-18;1-33-25-20(26(32)27-23(16-31)19-8-3-2-4-9-19)11-13-22-24(25)21(28-29-22)12-10-17-6-5-7-18(14-17)15-30/h4-16,24,32H,17H2,1-3H3,(H,28,33)(H,29,30);3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-15,22,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);2-14,23,30-31H,15-16H2,1H3,(H,27,32)(H,28,29)/b14-12+;13-11+;14-12+;14-10+;12-10+/t24-;23-;22-;2*23-/m11111/s1
InChIKeyJCSRUMJPMWFXJZ-WGDJTBLSSA-N
MW2230.56 g/mol
LogP20.61
Rot. Bonds40

About 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide

3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide (PubChem CID 158878445) has the molecular formula C131H128N16O19 and a molecular weight of 2230.56 g/mol. Its IUPAC name is 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
PubChem CID158878445
Molecular FormulaC131H128N16O19
Molecular Weight2230.56 g/mol
Exact Mass2228.95
IUPAC Name3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(CO)c3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(N(C)C)c3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)N[C@H](CO)c4ccccc4)c(OC)c23)cc1.COc1cccc(/C=C/c2[nH]nc3ccc(C(=O)N[C@H](CO)c4ccccc4)c(OC)c23)c1.COc1ccccc1/C=C/c1[nH]nc2ccc(C(=O)N[C@H](CO)c3ccccc3)c(OC)c12
InChIInChI=1S/C27H28N4O3.4C26H25N3O4/c1-31(2)20-11-7-8-18(16-20)12-14-22-25-23(30-29-22)15-13-21(26(25)34-3)27(33)28-24(17-32)19-9-5-4-6-10-19;1-32-19-10-6-7-17(15-19)11-13-21-24-22(29-28-21)14-12-20(25(24)33-2)26(31)27-23(16-30)18-8-4-3-5-9-18;1-32-23-11-7-6-10-18(23)12-14-20-24-21(29-28-20)15-13-19(25(24)33-2)26(31)27-22(16-30)17-8-4-3-5-9-17;1-32-19-11-8-17(9-12-19)10-14-21-24-22(29-28-21)15-13-20(25(24)33-2)26(31)27-23(16-30)18-6-4-3-5-7-18;1-33-25-20(26(32)27-23(16-31)19-8-3-2-4-9-19)11-13-22-24(25)21(28-29-22)12-10-17-6-5-7-18(14-17)15-30/h4-16,24,32H,17H2,1-3H3,(H,28,33)(H,29,30);3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-15,22,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);2-14,23,30-31H,15-16H2,1H3,(H,27,32)(H,28,29)/b14-12+;13-11+;14-12+;14-10+;12-10+/t24-;23-;22-;2*23-/m11111/s1
InChIKeyJCSRUMJPMWFXJZ-WGDJTBLSSA-N
XLogP20.61
TPSA487.36 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002230.56
LogP ≤ 520.61
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Analyze 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide (CID 158878445) is 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide is COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(CO)c3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccc(N(C)C)c3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)N[C@H](CO)c4ccccc4)c(OC)c23)cc1.COc1cccc(/C=C/c2[nH]nc3ccc(C(=O)N[C@H](CO)c4ccccc4)c(OC)c23)c1.COc1ccccc1/C=C/c1[nH]nc2ccc(C(=O)N[C@H](CO)c3ccccc3)c(OC)c12.
What is the InChIKey of 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide?
The InChIKey is JCSRUMJPMWFXJZ-WGDJTBLSSA-N. The full InChI is InChI=1S/C27H28N4O3.4C26H25N3O4/c1-31(2)20-11-7-8-18(16-20)12-14-22-25-23(30-29-22)15-13-21(26(25)34-3)27(33)28-24(17-32)19-9-5-4-6-10-19;1-32-19-10-6-7-17(15-19)11-13-21-24-22(29-28-21)14-12-20(25(24)33-2)26(31)27-23(16-30)18-8-4-3-5-9-18;1-32-23-11-7-6-10-18(23)12-14-20-24-21(29-28-20)15-13-19(25(24)33-2)26(31)27-22(16-30)17-8-4-3-5-9-17;1-32-19-11-8-17(9-12-19)10-14-21-24-22(29-28-21)15-13-20(25(24)33-2)26(31)27-23(16-30)18-6-4-3-5-7-18;1-33-25-20(26(32)27-23(16-31)19-8-3-2-4-9-19)11-13-22-24(25)21(28-29-22)12-10-17-6-5-7-18(14-17)15-30/h4-16,24,32H,17H2,1-3H3,(H,28,33)(H,29,30);3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-15,22,30H,16H2,1-2H3,(H,27,31)(H,28,29);3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29);2-14,23,30-31H,15-16H2,1H3,(H,27,32)(H,28,29)/b14-12+;13-11+;14-12+;14-10+;12-10+/t24-;23-;22-;2*23-/m11111/s1.
What are the key properties of 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide?
3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide has a molecular weight of 2230.56 g/mol, XLogP of 20.61, 40 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 158878445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).