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

C26H25N3O4 — CID 142836204

IUPACN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide
SMILESCOc1cccc(/C=C/c2n[nH]c3ccc(C(=O)NC(CO)c4ccccc4)c(OC)c23)c1
InChIInChI=1S/C26H25N3O4/c1-32-19-10-6-7-17(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/h3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29)/b13-11+
InChIKeyUFJXJMBBTWRRTN-ACCUITESSA-N
MW443.50 g/mol
LogP4.21
Rot. Bonds8

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

N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide (PubChem CID 142836204) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide
PubChem CID142836204
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide
SMILESCOc1cccc(/C=C/c2n[nH]c3ccc(C(=O)NC(CO)c4ccccc4)c(OC)c23)c1
InChIInChI=1S/C26H25N3O4/c1-32-19-10-6-7-17(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/h3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29)/b13-11+
InChIKeyUFJXJMBBTWRRTN-ACCUITESSA-N
XLogP4.21
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-chlorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 91176039
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 91114407
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305
3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 135987956
3-[2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90963822
N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90916059
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(2-iminoethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 142836253
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
2-amino-3-[3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-yl]-3-oxopropanoic acid
CID 68928279
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide (CID 142836204) is N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide is COc1cccc(/C=C/c2n[nH]c3ccc(C(=O)NC(CO)c4ccccc4)c(OC)c23)c1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide?
The InChIKey is UFJXJMBBTWRRTN-ACCUITESSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-32-19-10-6-7-17(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/h3-15,23,30H,16H2,1-2H3,(H,27,31)(H,28,29)/b13-11+.
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide?
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 142836204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).