4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

C90H94BBrN12O4Si2 — CID 159344079

IUPAC4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3cncc4c(N)cccc34)ccc21.Nc1cccc2c(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)cncc12.Nc1cccc2c(Br)cncc12
InChIInChI=1S/C30H32N4OSi.C27H37BN2O3Si.C24H18N4.C9H7BrN2/c1-36(2,3)17-16-35-21-34-30-15-13-23(26-19-32-20-27-24(26)10-7-11-28(27)31)18-25(30)29(33-34)14-12-22-8-5-4-6-9-22;1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7;25-22-8-4-7-18-20(14-26-15-21(18)22)17-10-12-24-19(13-17)23(27-28-24)11-9-16-5-2-1-3-6-16;10-8-5-12-4-7-6(8)2-1-3-9(7)11/h4-15,18-20H,16-17,21,31H2,1-3H3;8-16,19H,17-18,20H2,1-7H3;1-15H,25H2,(H,27,28);1-5H,11H2/b14-12+;15-13+;11-9+;
InChIKeyLGMOZFLGPATNNG-VMOKLVFYSA-N
MW1554.71 g/mol
LogP21.24
Rot. Bonds19

About 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 159344079) has the molecular formula C90H94BBrN12O4Si2 and a molecular weight of 1554.71 g/mol. Its IUPAC name is 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID159344079
Molecular FormulaC90H94BBrN12O4Si2
Molecular Weight1554.71 g/mol
Exact Mass1552.63
IUPAC Name4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3cncc4c(N)cccc34)ccc21.Nc1cccc2c(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)cncc12.Nc1cccc2c(Br)cncc12
InChIInChI=1S/C30H32N4OSi.C27H37BN2O3Si.C24H18N4.C9H7BrN2/c1-36(2,3)17-16-35-21-34-30-15-13-23(26-19-32-20-27-24(26)10-7-11-28(27)31)18-25(30)29(33-34)14-12-22-8-5-4-6-9-22;1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7;25-22-8-4-7-18-20(14-26-15-21(18)22)17-10-12-24-19(13-17)23(27-28-24)11-9-16-5-2-1-3-6-16;10-8-5-12-4-7-6(8)2-1-3-9(7)11/h4-15,18-20H,16-17,21,31H2,1-3H3;8-16,19H,17-18,20H2,1-7H3;1-15H,25H2,(H,27,28);1-5H,11H2/b14-12+;15-13+;11-9+;
InChIKeyLGMOZFLGPATNNG-VMOKLVFYSA-N
XLogP21.24
TPSA217.97 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.71
LogP ≤ 521.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 157464759
4-chloro-3-ethyl-5-iodopyridine;5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;2-[[5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-iodopyridine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 157557315
4-bromo-5-fluoroisoquinoline;4-bromoisoquinolin-5-amine;5-fluoro-4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]isoquinoline;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157775922
4-bromo-3-methylpyridine;1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 157825809
1,5-dimethyl-3-[(E)-2-phenylethenyl]indazole;methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]isoquinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline
CID 157845667
5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;2-[[5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(4-chloro-3-iodopyridine);trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 157920025
2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-isoquinolin-4-yl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 158033194
3-bromo-4-methylpyridine;1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 158090129
bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 158272025
methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
CID 158423439
1-(3-Bromophenyl)-3-pyridin-4-ylbenzo[e]indazole;methane;3-pyridin-4-yl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[e]indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158588777
4-bromo-5-fluoroisoquinoline;4-bromoisoquinolin-5-amine;2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 159707023

Frequently Asked Questions

What is the IUPAC name of 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (CID 159344079) is 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3cncc4c(N)cccc34)ccc21.Nc1cccc2c(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)cncc12.Nc1cccc2c(Br)cncc12.
What is the InChIKey of 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is LGMOZFLGPATNNG-VMOKLVFYSA-N. The full InChI is InChI=1S/C30H32N4OSi.C27H37BN2O3Si.C24H18N4.C9H7BrN2/c1-36(2,3)17-16-35-21-34-30-15-13-23(26-19-32-20-27-24(26)10-7-11-28(27)31)18-25(30)29(33-34)14-12-22-8-5-4-6-9-22;1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7;25-22-8-4-7-18-20(14-26-15-21(18)22)17-10-12-24-19(13-17)23(27-28-24)11-9-16-5-2-1-3-6-16;10-8-5-12-4-7-6(8)2-1-3-9(7)11/h4-15,18-20H,16-17,21,31H2,1-3H3;8-16,19H,17-18,20H2,1-7H3;1-15H,25H2,(H,27,28);1-5H,11H2/b14-12+;15-13+;11-9+;.
What are the key properties of 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1554.71 g/mol, XLogP of 21.24, 19 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159344079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).