2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C62H78BBrCl4N10O8Si2 — CID 159180519

About 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159180519) has the molecular formula C62H78BBrCl4N10O8Si2 and a molecular weight of 1380.07 g/mol. Its IUPAC name is 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 159180519
• Molecular Formula: C62H78BBrCl4N10O8Si2
• Molecular Weight: 1380.07 g/mol
• Exact Mass: 1376.36
• IUPAC Name: 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1N.COc1cc(Cl)ccc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12.COc1cc(Cl)ccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(Cl)c12
• InChI: InChI=1S/C28H33Cl2N5O3Si.C20H23BrCl2N2O2Si.C14H22BN3O3/c1-34(2)28(36)20-11-17(13-32-26(20)31)21-14-33-27-24(25(21)30)22(19-8-7-18(29)12-23(19)37-3)15-35(27)16-38-9-10-39(4,5)6;1-26-17-9-13(22)5-6-14(17)15-11-25(12-27-7-8-28(2,3)4)20-18(15)19(23)16(21)10-24-20;1-13(2)14(3,4)21-15(20-13)9-7-10(11(16)17-8-9)12(19)18(5)6/h7-8,11-15H,9-10,16H2,1-6H3,(H2,31,32);5-6,9-11H,7-8,12H2,1-4H3;7-8H,1-6H3,(H2,16,17)
• InChIKey: KMVFILMVEVYLQO-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 209.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.07
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 159180519) is 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1N.COc1cc(Cl)ccc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cnc(N)c(C(=O)N(C)C)c3)c(Cl)c12.COc1cc(Cl)ccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(Cl)c12.

What is the InChIKey of 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is KMVFILMVEVYLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33Cl2N5O3Si.C20H23BrCl2N2O2Si.C14H22BN3O3/c1-34(2)28(36)20-11-17(13-32-26(20)31)21-14-33-27-24(25(21)30)22(19-8-7-18(29)12-23(19)37-3)15-35(27)16-38-9-10-39(4,5)6;1-26-17-9-13(22)5-6-14(17)15-11-25(12-27-7-8-28(2,3)4)20-18(15)19(23)16(21)10-24-20;1-13(2)14(3,4)21-15(20-13)9-7-10(11(16)17-8-9)12(19)18(5)6/h7-8,11-15H,9-10,16H2,1-6H3,(H2,31,32);5-6,9-11H,7-8,12H2,1-4H3;7-8H,1-6H3,(H2,16,17).

What are the key properties of 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1380.07 g/mol, XLogP of 14.44, 18 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[4-chloro-3-(4-chloro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159180519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).