2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C88H91BrN16O11Si2 — CID 159873579

About 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 159873579) has the molecular formula C88H91BrN16O11Si2 and a molecular weight of 1684.87 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
• PubChem CID: 159873579
• Molecular Formula: C88H91BrN16O11Si2
• Molecular Weight: 1684.87 g/mol
• Exact Mass: 1682.58
• IUPAC Name: 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
• SMILES: CCOC(=O)c1cncc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)N4CCCC4)c3)cc12.COc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)O)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(Br)cc12
• InChI: InChI=1S/C27H32N4O4Si.C23H21N5O2.C19H24BrN3O2Si.C19H14N4O3/c1-6-35-27(32)21-13-19(15-28-16-21)20-14-23-25(22-9-7-8-10-24(22)33-2)30-31(26(23)29-17-20)18-34-11-12-36(3,4)5;1-30-20-7-3-2-6-18(20)21-19-11-16(14-25-22(19)27-26-21)15-10-17(13-24-12-15)23(29)28-8-4-5-9-28;1-24-17-8-6-5-7-15(17)18-16-11-14(20)12-21-19(16)23(22-18)13-25-9-10-26(2,3)4;1-26-16-5-3-2-4-14(16)17-15-7-12(10-21-18(15)23-22-17)11-6-13(19(24)25)9-20-8-11/h7-10,13-17H,6,11-12,18H2,1-5H3;2-3,6-7,10-14H,4-5,8-9H2,1H3,(H,25,26,27);5-8,11-12H,9-10,13H2,1-4H3;2-10H,1H3,(H,24,25)(H,21,22,23)
• InChIKey: NSPRLKLFJMXDJA-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 322.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.87
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

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-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?

The IUPAC name of 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 159873579) is 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is CCOC(=O)c1cncc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)N4CCCC4)c3)cc12.COc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)O)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(Br)cc12.

What is the InChIKey of 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?

The InChIKey is NSPRLKLFJMXDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4Si.C23H21N5O2.C19H24BrN3O2Si.C19H14N4O3/c1-6-35-27(32)21-13-19(15-28-16-21)20-14-23-25(22-9-7-8-10-24(22)33-2)30-31(26(23)29-17-20)18-34-11-12-36(3,4)5;1-30-20-7-3-2-6-18(20)21-19-11-16(14-25-22(19)27-26-21)15-10-17(13-24-12-15)23(29)28-8-4-5-9-28;1-24-17-8-6-5-7-15(17)18-16-11-14(20)12-21-19(16)23(22-18)13-25-9-10-26(2,3)4;1-26-16-5-3-2-4-14(16)17-15-7-12(10-21-18(15)23-22-17)11-6-13(19(24)25)9-20-8-11/h7-10,13-17H,6,11-12,18H2,1-5H3;2-3,6-7,10-14H,4-5,8-9H2,1H3,(H,25,26,27);5-8,11-12H,9-10,13H2,1-4H3;2-10H,1H3,(H,24,25)(H,21,22,23).

What are the key properties of 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?

2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 1684.87 g/mol, XLogP of 18.16, 25 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;ethyl 5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carboxylate;5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 159873579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).