4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C64H66BBrF2N8O4 — CID 159707314

About 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159707314) has the molecular formula C64H66BBrF2N8O4 and a molecular weight of 1140.00 g/mol. Its IUPAC name is 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 159707314
• Molecular Formula: C64H66BBrF2N8O4
• Molecular Weight: 1140.00 g/mol
• Exact Mass: 1138.45
• IUPAC Name: 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(C2=CCOCC2)OC1(C)C.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(Br)cc21.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(C3=CCOCC3)cc21
• InChI: InChI=1S/C29H27FN4O.C24H20BrFN4.C11H19BO3/c1-18-26(23-6-4-5-11-31-23)33-24-15-21(30)7-8-22(24)27(18)34-17-29(2,3)28-25(34)14-20(16-32-28)19-9-12-35-13-10-19;1-14-21(18-6-4-5-9-27-18)29-19-11-16(26)7-8-17(19)22(14)30-13-24(2,3)23-20(30)10-15(25)12-28-23;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h4-9,11,14-16H,10,12-13,17H2,1-3H3;4-12H,13H2,1-3H3;5H,6-8H2,1-4H3
• InChIKey: MYJNDPSPJYMCDS-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 120.74 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1140.00
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159707314) is 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCOCC2)OC1(C)C.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(Br)cc21.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(C3=CCOCC3)cc21.

What is the InChIKey of 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is MYJNDPSPJYMCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O.C24H20BrFN4.C11H19BO3/c1-18-26(23-6-4-5-11-31-23)33-24-15-21(30)7-8-22(24)27(18)34-17-29(2,3)28-25(34)14-20(16-32-28)19-9-12-35-13-10-19;1-14-21(18-6-4-5-9-27-18)29-19-11-16(26)7-8-17(19)22(14)30-13-24(2,3)23-20(30)10-15(25)12-28-23;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h4-9,11,14-16H,10,12-13,17H2,1-3H3;4-12H,13H2,1-3H3;5H,6-8H2,1-4H3.

What are the key properties of 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1140.00 g/mol, XLogP of 14.67, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[6-(3,6-dihydro-2H-pyran-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159707314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).