6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate

C96H113Br2N15O18Si3 — CID 159075867

About 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate

6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate (PubChem CID 159075867) has the molecular formula C96H113Br2N15O18Si3 and a molecular weight of 2009.11 g/mol. Its IUPAC name is 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate.

Molecular Properties

• Compound Name: 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate
• PubChem CID: 159075867
• Molecular Formula: C96H113Br2N15O18Si3
• Molecular Weight: 2009.11 g/mol
• Exact Mass: 2005.61
• IUPAC Name: 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate
• SMILES: CCOCC[Si](C)(C)C.COC(=O)C(O)c1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)n1.COC(=O)C(O)c1cccc(Br)n1.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)N(C)C)n3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(O)C(=O)O)n3)cc12.O=Cc1cccc(Br)n1
• InChI: InChI=1S/C27H32N4O5Si.C26H30N4O5Si.C22H21N5O3.C8H8BrNO3.C7H18OSi.C6H4BrNO/c1-34-23-12-7-6-9-19(23)24-20-15-18(21-10-8-11-22(29-21)25(32)27(33)35-2)16-28-26(20)31(30-24)17-36-13-14-37(3,4)5;1-34-22-11-6-5-8-18(22)23-19-14-17(20-9-7-10-21(28-20)24(31)26(32)33)15-27-25(19)30(29-23)16-35-12-13-36(2,3)4;1-27(2)22(29)20(28)17-9-6-8-16(24-17)13-11-15-19(25-26-21(15)23-12-13)14-7-4-5-10-18(14)30-3;1-13-8(12)7(11)5-3-2-4-6(9)10-5;1-5-8-6-7-9(2,3)4;7-6-3-1-2-5(4-9)8-6/h6-12,15-16,25,32H,13-14,17H2,1-5H3;5-11,14-15,24,31H,12-13,16H2,1-4H3,(H,32,33);4-12,20,28H,1-3H3,(H,23,25,26);2-4,7,11H,1H3;5-7H2,1-4H3;1-4H
• InChIKey: KAFVZRHBNZVWME-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 431.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.11
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate?

The IUPAC name of 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate (CID 159075867) is 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate.

What is the SMILES notation for 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate?

The canonical SMILES for 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate is CCOCC[Si](C)(C)C.COC(=O)C(O)c1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)n1.COC(=O)C(O)c1cccc(Br)n1.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)C(=O)N(C)C)n3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(O)C(=O)O)n3)cc12.O=Cc1cccc(Br)n1.

What is the InChIKey of 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate?

The InChIKey is KAFVZRHBNZVWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5Si.C26H30N4O5Si.C22H21N5O3.C8H8BrNO3.C7H18OSi.C6H4BrNO/c1-34-23-12-7-6-9-19(23)24-20-15-18(21-10-8-11-22(29-21)25(32)27(33)35-2)16-28-26(20)31(30-24)17-36-13-14-37(3,4)5;1-34-22-11-6-5-8-18(22)23-19-14-17(20-9-7-10-21(28-20)24(31)26(32)33)15-27-25(19)30(29-23)16-35-12-13-36(2,3)4;1-27(2)22(29)20(28)17-9-6-8-16(24-17)13-11-15-19(25-26-21(15)23-12-13)14-7-4-5-10-18(14)30-3;1-13-8(12)7(11)5-3-2-4-6(9)10-5;1-5-8-6-7-9(2,3)4;7-6-3-1-2-5(4-9)8-6/h6-12,15-16,25,32H,13-14,17H2,1-5H3;5-11,14-15,24,31H,12-13,16H2,1-4H3,(H,32,33);4-12,20,28H,1-3H3,(H,23,25,26);2-4,7,11H,1H3;5-7H2,1-4H3;1-4H.

What are the key properties of 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate?

6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate has a molecular weight of 2009.11 g/mol, XLogP of 17.17, 32 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromopyridine-2-carbaldehyde;2-ethoxyethyl(trimethyl)silane;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetic acid;methyl 2-(6-bromo-2-pyridinyl)-2-hydroxyacetate;methyl 2-hydroxy-2-[6-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]acetate is sourced from PubChem (CID 159075867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).