(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C46H70BBrF2N8O2Si2 — CID 159452173

About (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159452173) has the molecular formula C46H70BBrF2N8O2Si2 and a molecular weight of 952.00 g/mol. Its IUPAC name is (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 159452173
• Molecular Formula: C46H70BBrF2N8O2Si2
• Molecular Weight: 952.00 g/mol
• Exact Mass: 950.44
• IUPAC Name: (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnn(C)c3)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Br)cnc21.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C20H29FN4Si.C16H24BrFN2Si.C10H17BN2O2/c1-13(2)26(14(3)4,15(5)6)25-9-8-17-19(21)18(11-22-20(17)25)16-10-23-24(7)12-16;1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h8-15H,1-7H3;7-12H,1-6H3;6-7H,1-5H3
• InChIKey: LTNCAOPDTKSAQW-UHFFFAOYSA-N
• XLogP: 12.28
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.00
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159452173) is (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnn(C)c3)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Br)cnc21.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is LTNCAOPDTKSAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4Si.C16H24BrFN2Si.C10H17BN2O2/c1-13(2)26(14(3)4,15(5)6)25-9-8-17-19(21)18(11-22-20(17)25)16-10-23-24(7)12-16;1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h8-15H,1-7H3;7-12H,1-6H3;6-7H,1-5H3.

What are the key properties of (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 952.00 g/mol, XLogP of 12.28, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159452173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).