N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine

C59H65N7O3Si — CID 158551524

IUPACN-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine
SMILESC=C(c1cccc(NC(C)=O)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.C=C(c1cccc(NC(C)=O)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.CCCN
InChIInChI=1S/C31H35N3O2Si.C25H21N3O.C3H9N/c1-23(26-12-9-13-28(20-26)32-24(2)35)27-15-16-29-30(17-14-25-10-7-6-8-11-25)33-34(31(29)21-27)22-36-18-19-37(3,4)5;1-17(20-9-6-10-22(15-20)26-18(2)29)21-12-13-23-24(27-28-25(23)16-21)14-11-19-7-4-3-5-8-19;1-2-3-4/h6-17,20-21H,1,18-19,22H2,2-5H3,(H,32,35);3-16H,1H2,2H3,(H,26,29)(H,27,28);2-4H2,1H3/b17-14+;14-11+;
InChIKeyHPTYYGPGBAUYFM-SUMYKOQFSA-N
MW948.30 g/mol
LogP13.65
Rot. Bonds16

About N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine

N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine (PubChem CID 158551524) has the molecular formula C59H65N7O3Si and a molecular weight of 948.30 g/mol. Its IUPAC name is N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine.

Molecular Properties

Compound NameN-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine
PubChem CID158551524
Molecular FormulaC59H65N7O3Si
Molecular Weight948.30 g/mol
Exact Mass947.49
IUPAC NameN-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine
SMILESC=C(c1cccc(NC(C)=O)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.C=C(c1cccc(NC(C)=O)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.CCCN
InChIInChI=1S/C31H35N3O2Si.C25H21N3O.C3H9N/c1-23(26-12-9-13-28(20-26)32-24(2)35)27-15-16-29-30(17-14-25-10-7-6-8-11-25)33-34(31(29)21-27)22-36-18-19-37(3,4)5;1-17(20-9-6-10-22(15-20)26-18(2)29)21-12-13-23-24(27-28-25(23)16-21)14-11-19-7-4-3-5-8-19;1-2-3-4/h6-17,20-21H,1,18-19,22H2,2-5H3,(H,32,35);3-16H,1H2,2H3,(H,26,29)(H,27,28);2-4H2,1H3/b17-14+;14-11+;
InChIKeyHPTYYGPGBAUYFM-SUMYKOQFSA-N
XLogP13.65
TPSA139.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.30
LogP ≤ 513.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine with MolForge

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Related Compounds

N-[3-[5-(cyclohexylamino)-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide
CID 71682457
(3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one
CID 141244659
6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1,1,1-trifluoro-3-hydroxypropan-2-one;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 158357251
N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide
CID 21877265
3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline
CID 21877297
N-[3-[3-[(E)-2-(2-aminophenyl)ethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]phenyl]benzamide
CID 21877592
2'-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 66734193
2'-[3-[2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 66734194
(3E)-3-[[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 68754819
(E)-3-((3-(4-(morpholinomethyl)styryl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-6-yl)methylene)indolin-2-one
CID 68754821
3-[[3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 68754822
(3E)-3-[[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 68757758

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine?
The IUPAC name of N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine (CID 158551524) is N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine.
What is the SMILES notation for N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine?
The canonical SMILES for N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine is C=C(c1cccc(NC(C)=O)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.C=C(c1cccc(NC(C)=O)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.CCCN.
What is the InChIKey of N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine?
The InChIKey is HPTYYGPGBAUYFM-SUMYKOQFSA-N. The full InChI is InChI=1S/C31H35N3O2Si.C25H21N3O.C3H9N/c1-23(26-12-9-13-28(20-26)32-24(2)35)27-15-16-29-30(17-14-25-10-7-6-8-11-25)33-34(31(29)21-27)22-36-18-19-37(3,4)5;1-17(20-9-6-10-22(15-20)26-18(2)29)21-12-13-23-24(27-28-25(23)16-21)14-11-19-7-4-3-5-8-19;1-2-3-4/h6-17,20-21H,1,18-19,22H2,2-5H3,(H,32,35);3-16H,1H2,2H3,(H,26,29)(H,27,28);2-4H2,1H3/b17-14+;14-11+;.
What are the key properties of N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine?
N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine has a molecular weight of 948.30 g/mol, XLogP of 13.65, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide;propan-1-amine is sourced from PubChem (CID 158551524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).