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

C71H67BBrN9O2 — CID 158090129

IUPAC3-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
SMILESCc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1ccncc1-c1ccc2c(c1)c(/C=C/c1ccccc1)nn2C.Cc1ccncc1Br.Cn1nc(/C=C/c2ccccc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C22H25BN2O2.C22H19N3.C21H17N3.C6H6BrN/c1-21(2)22(3,4)27-23(26-21)17-12-14-20-18(15-17)19(24-25(20)5)13-11-16-9-7-6-8-10-16;1-16-12-13-23-15-20(16)18-9-11-22-19(14-18)21(24-25(22)2)10-8-17-6-4-3-5-7-17;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-5-2-3-8-4-6(5)7/h6-15H,1-5H3;3-15H,1-2H3;2-14H,1H3,(H,23,24);2-4H,1H3/b13-11+;10-8+;9-7+;
InChIKeyFNZQQYXXXDGDIV-AKENAVRBSA-N
MW1169.09 g/mol
LogP16.41
Rot. Bonds9

About 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

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 (PubChem CID 158090129) has the molecular formula C71H67BBrN9O2 and a molecular weight of 1169.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158090129
Molecular FormulaC71H67BBrN9O2
Molecular Weight1169.09 g/mol
Exact Mass1167.47
IUPAC Name3-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
SMILESCc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1ccncc1-c1ccc2c(c1)c(/C=C/c1ccccc1)nn2C.Cc1ccncc1Br.Cn1nc(/C=C/c2ccccc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C22H25BN2O2.C22H19N3.C21H17N3.C6H6BrN/c1-21(2)22(3,4)27-23(26-21)17-12-14-20-18(15-17)19(24-25(20)5)13-11-16-9-7-6-8-10-16;1-16-12-13-23-15-20(16)18-9-11-22-19(14-18)21(24-25(22)2)10-8-17-6-4-3-5-7-17;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-5-2-3-8-4-6(5)7/h6-15H,1-5H3;3-15H,1-2H3;2-14H,1H3,(H,23,24);2-4H,1H3/b13-11+;10-8+;9-7+;
InChIKeyFNZQQYXXXDGDIV-AKENAVRBSA-N
XLogP16.41
TPSA121.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.09
LogP ≤ 516.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole
CID 155371057
5-bromo-2-(2,6-difluorophenyl)-1H-indole;2-(2,6-difluorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 158190243
3-bromo-2H-indazole;3-bromo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole;5-(chloromethyl)-2-(trifluoromethyl)pyridine;phenylboronic acid;3-phenyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole
CID 161019117
4-bromo-2-methyl-6-(trifluoromethyl)aniline;5-bromo-1-methyl-7-(trifluoromethyl)indazole;5-bromo-7-(trifluoromethyl)-1H-indazole;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole;2-methyl-6-(trifluoromethyl)aniline
CID 162250939
ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine;3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole
CID 145252332
2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane
CID 157245494
4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157400458
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
6-Bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-methylcyclohexene
CID 157647657
3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;methane;palladium;tetrakis(triphenylphosphane)
CID 157704518
5-Bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
CID 157726501
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1ccncc1-c1ccc2c(c1)c(/C=C/c1ccccc1)nn2C.Cc1ccncc1Br.Cn1nc(/C=C/c2ccccc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.
What is the InChIKey of 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?
The InChIKey is FNZQQYXXXDGDIV-AKENAVRBSA-N. The full InChI is InChI=1S/C22H25BN2O2.C22H19N3.C21H17N3.C6H6BrN/c1-21(2)22(3,4)27-23(26-21)17-12-14-20-18(15-17)19(24-25(20)5)13-11-16-9-7-6-8-10-16;1-16-12-13-23-15-20(16)18-9-11-22-19(14-18)21(24-25(22)2)10-8-17-6-4-3-5-7-17;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-5-2-3-8-4-6(5)7/h6-15H,1-5H3;3-15H,1-2H3;2-14H,1H3,(H,23,24);2-4H,1H3/b13-11+;10-8+;9-7+;.
What are the key properties of 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?
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 has a molecular weight of 1169.09 g/mol, XLogP of 16.41, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158090129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).