2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C30H35N3O6Si — CID 69370102

IUPAC2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOCOc1ccc(-c2ccc3c(C=Cc4ccc([N+](=O)[O-])cc4)nn(COCC[Si](C)(C)C)c3c2)cc1OC
InChIInChI=1S/C30H35N3O6Si/c1-36-21-39-29-15-10-24(19-30(29)37-2)23-9-13-26-27(14-8-22-6-11-25(12-7-22)33(34)35)31-32(28(26)18-23)20-38-16-17-40(3,4)5/h6-15,18-19H,16-17,20-21H2,1-5H3
InChIKeyBWDMXYWHZUYBPM-UHFFFAOYSA-N
MW561.71 g/mol
LogP7.09
Rot. Bonds13

About 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 69370102) has the molecular formula C30H35N3O6Si and a molecular weight of 561.71 g/mol. Its IUPAC name is 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID69370102
Molecular FormulaC30H35N3O6Si
Molecular Weight561.71 g/mol
Exact Mass561.23
IUPAC Name2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOCOc1ccc(-c2ccc3c(C=Cc4ccc([N+](=O)[O-])cc4)nn(COCC[Si](C)(C)C)c3c2)cc1OC
InChIInChI=1S/C30H35N3O6Si/c1-36-21-39-29-15-10-24(19-30(29)37-2)23-9-13-26-27(14-8-22-6-11-25(12-7-22)33(34)35)31-32(28(26)18-23)20-38-16-17-40(3,4)5/h6-15,18-19H,16-17,20-21H2,1-5H3
InChIKeyBWDMXYWHZUYBPM-UHFFFAOYSA-N
XLogP7.09
TPSA97.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.71
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]boronic acid;2-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(3-iodo-6-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 157495807
1,2-bis(methoxymethoxy)-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
CID 87641751
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 166110620
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
1,3-dibromo-2-(methoxymethoxy)-5-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 68978844
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole
CID 158304903
2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane
CID 11326637
trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 147395675
3-[2-[3-(4-methylpiperazine-1-carbonyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 91326919
2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid
CID 69371167
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 69370102) is 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is COCOc1ccc(-c2ccc3c(C=Cc4ccc([N+](=O)[O-])cc4)nn(COCC[Si](C)(C)C)c3c2)cc1OC.
What is the InChIKey of 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BWDMXYWHZUYBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O6Si/c1-36-21-39-29-15-10-24(19-30(29)37-2)23-9-13-26-27(14-8-22-6-11-25(12-7-22)33(34)35)31-32(28(26)18-23)20-38-16-17-40(3,4)5/h6-15,18-19H,16-17,20-21H2,1-5H3.
What are the key properties of 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 561.71 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 69370102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).