2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C68H92BF4IN8O9Si3 — CID 158286313

About 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158286313) has the molecular formula C68H92BF4IN8O9Si3 and a molecular weight of 1463.50 g/mol. Its IUPAC name is 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 158286313
• Molecular Formula: C68H92BF4IN8O9Si3
• Molecular Weight: 1463.50 g/mol
• Exact Mass: 1462.54
• IUPAC Name: 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CN(C)C(=O)c1cc(I)cc(F)c1F.COCC[Si](C)(C)C.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cc(F)c(F)c(C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12
• InChI: InChI=1S/C28H32F2N4O3Si.C25H36BN3O4Si.C9H8F2INO.C6H16OSi/c1-33(2)28(35)21-13-18(15-23(29)25(21)30)19-14-22-26(20-9-7-8-10-24(20)36-3)32-34(27(22)31-16-19)17-37-11-12-38(4,5)6;1-24(2)25(3,4)33-26(32-24)18-15-20-22(19-11-9-10-12-21(19)30-5)28-29(23(20)27-16-18)17-31-13-14-34(6,7)8;1-13(2)9(14)6-3-5(12)4-7(10)8(6)11;1-7-5-6-8(2,3)4/h7-10,13-16H,11-12,17H2,1-6H3;9-12,15-16H,13-14,17H2,1-8H3;3-4H,1-2H3;5-6H2,1-4H3
• InChIKey: GKUZXMBJGBWSDT-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 166.65 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.50
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 158286313) is 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CN(C)C(=O)c1cc(I)cc(F)c1F.COCC[Si](C)(C)C.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cc(F)c(F)c(C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.

What is the InChIKey of 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is GKUZXMBJGBWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N4O3Si.C25H36BN3O4Si.C9H8F2INO.C6H16OSi/c1-33(2)28(35)21-13-18(15-23(29)25(21)30)19-14-22-26(20-9-7-8-10-24(20)36-3)32-34(27(22)31-16-19)17-37-11-12-38(4,5)6;1-24(2)25(3,4)33-26(32-24)18-15-20-22(19-11-9-10-12-21(19)30-5)28-29(23(20)27-16-18)17-31-13-14-34(6,7)8;1-13(2)9(14)6-3-5(12)4-7(10)8(6)11;1-7-5-6-8(2,3)4/h7-10,13-16H,11-12,17H2,1-6H3;9-12,15-16H,13-14,17H2,1-8H3;3-4H,1-2H3;5-6H2,1-4H3.

What are the key properties of 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1463.50 g/mol, XLogP of 15.03, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-difluoro-5-iodo-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158286313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).