2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C75H88BF3N12O8Si2 — CID 158048769

About 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158048769) has the molecular formula C75H88BF3N12O8Si2 and a molecular weight of 1409.58 g/mol. Its IUPAC name is 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 158048769
• Molecular Formula: C75H88BF3N12O8Si2
• Molecular Weight: 1409.58 g/mol
• Exact Mass: 1408.64
• IUPAC Name: 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC1(C)OB(c2cnc3c(c2)c(-c2ccccc2F)cn3COCC[Si](C)(C)C)OC1(C)C.CN(C)C(=O)C(O)c1cc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2)cnc1N.CN(C)C(=O)C(O)c1cc(-c2cnc3c(c2)c(-c2ccccc2F)cn3COCC[Si](C)(C)C)cnc1N
• InChI: InChI=1S/C28H34FN5O3Si.C25H34BFN2O3Si.C22H20FN5O2/c1-33(2)28(36)25(35)22-13-19(14-31-26(22)30)18-12-21-23(20-8-6-7-9-24(20)29)16-34(27(21)32-15-18)17-37-10-11-38(3,4)5;1-24(2)25(3,4)32-26(31-24)18-14-20-21(19-10-8-9-11-22(19)27)16-29(23(20)28-15-18)17-30-12-13-33(5,6)7;1-28(2)22(30)19(29)16-8-13(9-25-20(16)24)12-7-15-17(11-27-21(15)26-10-12)14-5-3-4-6-18(14)23/h6-9,12-16,25,35H,10-11,17H2,1-5H3,(H2,30,31);8-11,14-16H,12-13,17H2,1-7H3;3-11,19,29H,1-2H3,(H2,24,25)(H,26,27)
• InChIKey: FJFONUZOGSMIGC-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 260.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1409.58
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 158048769) is 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CC1(C)OB(c2cnc3c(c2)c(-c2ccccc2F)cn3COCC[Si](C)(C)C)OC1(C)C.CN(C)C(=O)C(O)c1cc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2)cnc1N.CN(C)C(=O)C(O)c1cc(-c2cnc3c(c2)c(-c2ccccc2F)cn3COCC[Si](C)(C)C)cnc1N.

What is the InChIKey of 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is FJFONUZOGSMIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O3Si.C25H34BFN2O3Si.C22H20FN5O2/c1-33(2)28(36)25(35)22-13-19(14-31-26(22)30)18-12-21-23(20-8-6-7-9-24(20)29)16-34(27(21)32-15-18)17-37-10-11-38(3,4)5;1-24(2)25(3,4)32-26(31-24)18-14-20-21(19-10-8-9-11-22(19)27)16-29(23(20)28-15-18)17-30-12-13-33(5,6)7;1-28(2)22(30)19(29)16-8-13(9-25-20(16)24)12-7-15-17(11-27-21(15)26-10-12)14-5-3-4-6-18(14)23/h6-9,12-16,25,35H,10-11,17H2,1-5H3,(H2,30,31);8-11,14-16H,12-13,17H2,1-7H3;3-11,19,29H,1-2H3,(H2,24,25)(H,26,27).

What are the key properties of 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1409.58 g/mol, XLogP of 13.51, 20 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[3-(2-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158048769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).