2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane

C56H64Br2F3N7O7Si — CID 159393794

IUPAC2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane
SMILESC.CN(C)C(=O)C(O)c1cccc(Br)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(C)c12
InChIInChI=1S/C24H21F3N4O3.C21H27BrN2O2Si.C10H12BrNO2.CH4/c1-31(2)23(33)21(32)14-8-13(9-28-10-14)16-11-29-22-19(20(16)24(25,26)27)17(12-30-22)15-6-4-5-7-18(15)34-3;1-15-18(22)12-23-21-20(15)17(16-8-6-7-9-19(16)25-2)13-24(21)14-26-10-11-27(3,4)5;1-12(2)10(14)9(13)7-4-3-5-8(11)6-7;/h4-12,21,32H,1-3H3,(H,29,30);6-9,12-13H,10-11,14H2,1-5H3;3-6,9,13H,1-2H3;1H4
InChIKeyLMLLZMVWDONQNN-UHFFFAOYSA-N
MW1192.06 g/mol
LogP12.74
Rot. Bonds14

About 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane

2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane (PubChem CID 159393794) has the molecular formula C56H64Br2F3N7O7Si and a molecular weight of 1192.06 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane.

Molecular Properties

Compound Name2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane
PubChem CID159393794
Molecular FormulaC56H64Br2F3N7O7Si
Molecular Weight1192.06 g/mol
Exact Mass1189.30
IUPAC Name2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane
SMILESC.CN(C)C(=O)C(O)c1cccc(Br)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(C)c12
InChIInChI=1S/C24H21F3N4O3.C21H27BrN2O2Si.C10H12BrNO2.CH4/c1-31(2)23(33)21(32)14-8-13(9-28-10-14)16-11-29-22-19(20(16)24(25,26)27)17(12-30-22)15-6-4-5-7-18(15)34-3;1-15-18(22)12-23-21-20(15)17(16-8-6-7-9-19(16)25-2)13-24(21)14-26-10-11-27(3,4)5;1-12(2)10(14)9(13)7-4-3-5-8(11)6-7;/h4-12,21,32H,1-3H3,(H,29,30);6-9,12-13H,10-11,14H2,1-5H3;3-6,9,13H,1-2H3;1H4
InChIKeyLMLLZMVWDONQNN-UHFFFAOYSA-N
XLogP12.74
TPSA168.16 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.06
LogP ≤ 512.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane with MolForge

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Related Compounds

2-Hydroxy-2-{5-[3-(2-methoxy-phenyl)-4-trifluoromethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyridin-3-yl}-N,N-dimethyl-acetamide
CID 57537662
2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-yl]acetamide
CID 59824928
2-hydroxy-N,N-dimethyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-yl]acetamide
CID 59824966
2-[5-[3-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-oxidopyridin-1-ium-3-yl]-2-hydroxy-N,N-dimethylacetamide
CID 59825015
2-[5-[3-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 59825116
N-[2-[2-[5-[6-amino-5-[2-(dimethylamino)-1-hydroxy-2-oxoethyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenoxy]ethyl]-2-[5-[3-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-oxidopyridin-1-ium-3-yl]-2-hydroxy-N-methylacetamide
CID 145491743
2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 145491800
2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane
CID 160513324
2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
CID 25124231
2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
CID 57537594
2-[5-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537606
N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide
CID 59824862

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane?
The IUPAC name of 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane (CID 159393794) is 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane.
What is the SMILES notation for 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane?
The canonical SMILES for 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane is C.CN(C)C(=O)C(O)c1cccc(Br)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(C)c12.
What is the InChIKey of 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane?
The InChIKey is LMLLZMVWDONQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3.C21H27BrN2O2Si.C10H12BrNO2.CH4/c1-31(2)23(33)21(32)14-8-13(9-28-10-14)16-11-29-22-19(20(16)24(25,26)27)17(12-30-22)15-6-4-5-7-18(15)34-3;1-15-18(22)12-23-21-20(15)17(16-8-6-7-9-19(16)25-2)13-24(21)14-26-10-11-27(3,4)5;1-12(2)10(14)9(13)7-4-3-5-8(11)6-7;/h4-12,21,32H,1-3H3,(H,29,30);6-9,12-13H,10-11,14H2,1-5H3;3-6,9,13H,1-2H3;1H4.
What are the key properties of 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane?
2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane has a molecular weight of 1192.06 g/mol, XLogP of 12.74, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(2-methoxyphenyl)-4-methylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(3-bromophenyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane is sourced from PubChem (CID 159393794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).