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

C132H131N17O18 — CID 158184332

IUPAC3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[4-(dimethylamino)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/c3ccc(N(C)C)cc3)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/2C27H28N4O3.3C26H25N3O4/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;1-31(2)20-12-9-18(10-13-20)11-15-22-25-23(30-29-22)16-14-21(26(25)34-3)27(33)28-24(17-32)19-7-5-4-6-8-19;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/h2*4-16,24,32H,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)/b14-12+;15-11+;13-11+;14-12+;14-10+/t2*24-;23-;22-;23-/m11111/s1
InChIKeyFYYSFTSBOOTZOO-CUEKHHGFSA-N
MW2243.60 g/mol
LogP21.18
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-[4-(dimethylamino)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-[4-(dimethylamino)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 158184332) has the molecular formula C132H131N17O18 and a molecular weight of 2243.60 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-[4-(dimethylamino)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-[4-(dimethylamino)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 CID158184332
Molecular FormulaC132H131N17O18
Molecular Weight2243.60 g/mol
Exact Mass2241.99
IUPAC Name3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[4-(dimethylamino)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/c3ccc(N(C)C)cc3)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/2C27H28N4O3.3C26H25N3O4/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;1-31(2)20-12-9-18(10-13-20)11-15-22-25-23(30-29-22)16-14-21(26(25)34-3)27(33)28-24(17-32)19-7-5-4-6-8-19;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/h2*4-16,24,32H,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)/b14-12+;15-11+;13-11+;14-12+;14-10+/t2*24-;23-;22-;23-/m11111/s1
InChIKeyFYYSFTSBOOTZOO-CUEKHHGFSA-N
XLogP21.18
TPSA470.37 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.60
LogP ≤ 521.18
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[4-(dimethylamino)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-[4-(dimethylamino)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-[4-(dimethylamino)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 158184332) is 3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[4-(dimethylamino)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-[4-(dimethylamino)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-[4-(dimethylamino)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/c3ccc(N(C)C)cc3)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-[4-(dimethylamino)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 FYYSFTSBOOTZOO-CUEKHHGFSA-N. The full InChI is InChI=1S/2C27H28N4O3.3C26H25N3O4/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;1-31(2)20-12-9-18(10-13-20)11-15-22-25-23(30-29-22)16-14-21(26(25)34-3)27(33)28-24(17-32)19-7-5-4-6-8-19;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/h2*4-16,24,32H,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)/b14-12+;15-11+;13-11+;14-12+;14-10+/t2*24-;23-;22-;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-[4-(dimethylamino)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-[4-(dimethylamino)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 2243.60 g/mol, XLogP of 21.18, 40 rotatable bonds, 15 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-[4-(dimethylamino)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 158184332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).