5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde

C62H87BrN10O8Si4 — CID 157324505

IUPAC5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde
SMILESC=Cc1cn(COCC[Si](C)(C)C)nc1-c1nc2ccc(OC)cc2n1COCC[Si](C)(C)C.COc1ccc2nc(-c3nn(COCC[Si](C)(C)C)cc3/C=C/c3cncc(C=O)c3)n(COCC[Si](C)(C)C)c2c1.O=Cc1cncc(Br)c1
InChIInChI=1S/C31H43N5O4Si2.C25H40N4O3Si2.C6H4BrNO/c1-38-27-10-11-28-29(17-27)36(23-40-13-15-42(5,6)7)31(33-28)30-26(9-8-24-16-25(21-37)19-32-18-24)20-35(34-30)22-39-12-14-41(2,3)4;1-9-20-17-28(18-31-12-14-33(3,4)5)27-24(20)25-26-22-11-10-21(30-2)16-23(22)29(25)19-32-13-15-34(6,7)8;7-6-1-5(4-9)2-8-3-6/h8-11,16-21H,12-15,22-23H2,1-7H3;9-11,16-17H,1,12-15,18-19H2,2-8H3;1-4H/b9-8+;;
InChIKeyBENZZZPGEYEPIL-YEUQMBKVSA-N
MW1292.69 g/mol
LogP14.74
Rot. Bonds29

About 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde

5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde (PubChem CID 157324505) has the molecular formula C62H87BrN10O8Si4 and a molecular weight of 1292.69 g/mol. Its IUPAC name is 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde
PubChem CID157324505
Molecular FormulaC62H87BrN10O8Si4
Molecular Weight1292.69 g/mol
Exact Mass1290.50
IUPAC Name5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde
SMILESC=Cc1cn(COCC[Si](C)(C)C)nc1-c1nc2ccc(OC)cc2n1COCC[Si](C)(C)C.COc1ccc2nc(-c3nn(COCC[Si](C)(C)C)cc3/C=C/c3cncc(C=O)c3)n(COCC[Si](C)(C)C)c2c1.O=Cc1cncc(Br)c1
InChIInChI=1S/C31H43N5O4Si2.C25H40N4O3Si2.C6H4BrNO/c1-38-27-10-11-28-29(17-27)36(23-40-13-15-42(5,6)7)31(33-28)30-26(9-8-24-16-25(21-37)19-32-18-24)20-35(34-30)22-39-12-14-41(2,3)4;1-9-20-17-28(18-31-12-14-33(3,4)5)27-24(20)25-26-22-11-10-21(30-2)16-23(22)29(25)19-32-13-15-34(6,7)8;7-6-1-5(4-9)2-8-3-6/h8-11,16-21H,12-15,22-23H2,1-7H3;9-11,16-17H,1,12-15,18-19H2,2-8H3;1-4H/b9-8+;;
InChIKeyBENZZZPGEYEPIL-YEUQMBKVSA-N
XLogP14.74
TPSA186.58 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.69
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde with MolForge

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Related Compounds

5-[3-[5-trifluoromethoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-pyridine-3-carbaldehyde
CID 86627823
5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde
CID 57985946
5-bromo-3-[6-methoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridine
CID 68887443
5-[2-[3-[6-Methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde
CID 76696799
5-[3-[6-Methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde
CID 87613588
2-[[4-Ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;prop-1-ene
CID 157075053
5-bromopyridine-3-carbaldehyde;2-(5-bromo-3-pyridinyl)-5-methoxy-1-methylbenzimidazole;4-methoxy-1-N-methylbenzene-1,2-diamine;4-methoxy-N-methyl-2-nitroaniline;5-methoxy-1-methyl-2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]benzimidazole;4-methoxy-2-nitroaniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 157300210
2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-(6-methoxyindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 157500544
2-(5-Methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(5-methoxy-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 157674103
CID 158339385
CID 158339385
2-[5-(Difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 159267948
2-Bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 160650421

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde?
The IUPAC name of 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde (CID 157324505) is 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde is C=Cc1cn(COCC[Si](C)(C)C)nc1-c1nc2ccc(OC)cc2n1COCC[Si](C)(C)C.COc1ccc2nc(-c3nn(COCC[Si](C)(C)C)cc3/C=C/c3cncc(C=O)c3)n(COCC[Si](C)(C)C)c2c1.O=Cc1cncc(Br)c1.
What is the InChIKey of 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde?
The InChIKey is BENZZZPGEYEPIL-YEUQMBKVSA-N. The full InChI is InChI=1S/C31H43N5O4Si2.C25H40N4O3Si2.C6H4BrNO/c1-38-27-10-11-28-29(17-27)36(23-40-13-15-42(5,6)7)31(33-28)30-26(9-8-24-16-25(21-37)19-32-18-24)20-35(34-30)22-39-12-14-41(2,3)4;1-9-20-17-28(18-31-12-14-33(3,4)5)27-24(20)25-26-22-11-10-21(30-2)16-23(22)29(25)19-32-13-15-34(6,7)8;7-6-1-5(4-9)2-8-3-6/h8-11,16-21H,12-15,22-23H2,1-7H3;9-11,16-17H,1,12-15,18-19H2,2-8H3;1-4H/b9-8+;;.
What are the key properties of 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde?
5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde has a molecular weight of 1292.69 g/mol, XLogP of 14.74, 29 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-3-carbaldehyde;2-[[4-ethenyl-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[(E)-2-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 157324505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).