8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C106H84B3Br2F14N11O9 — CID 157145037

About 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157145037) has the molecular formula C106H84B3Br2F14N11O9 and a molecular weight of 2114.12 g/mol. Its IUPAC name is 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157145037
• Molecular Formula: C106H84B3Br2F14N11O9
• Molecular Weight: 2114.12 g/mol
• Exact Mass: 2111.49
• IUPAC Name: 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc(-c2cccn3c(-c4cccc(F)c4F)ncc23)c(F)c1C(=O)Nc1ccc(F)cc1.Cc1ccc(-c2cccn3c(-c4cccc(F)c4F)ncc23)c(F)c1C(=O)Nc1ccc(F)cc1.Cc1ccc(Br)c(F)c1C(=O)Nc1ccc(F)cc1.Fc1cccc(-c2ncc3c(Br)cccn23)c1F.OB(O)c1cccn2c(-c3cccc(F)c3F)ncc12
• InChI: InChI=1S/2C27H17F4N3O.C14H10BrF2NO.C13H9BF2N2O2.C13H7BrF2N2.C12H24B2O4/c2*1-15-7-12-19(25(31)23(15)27(35)33-17-10-8-16(28)9-11-17)18-5-3-13-34-22(18)14-32-26(34)20-4-2-6-21(29)24(20)30;1-8-2-7-11(15)13(17)12(8)14(19)18-10-5-3-9(16)4-6-10;15-10-5-1-3-8(12(10)16)13-17-7-11-9(14(19)20)4-2-6-18(11)13;14-9-4-2-6-18-11(9)7-17-13(18)8-3-1-5-10(15)12(8)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*2-14H,1H3,(H,33,35);2-7H,1H3,(H,18,19);1-7,19-20H;1-7H;1-8H3
• InChIKey: AKPLBEVCYXENTP-UHFFFAOYSA-N
• XLogP: 25.11
• TPSA: 233.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2114.12
LogP ≤ 5	25.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157145037) is 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc(-c2cccn3c(-c4cccc(F)c4F)ncc23)c(F)c1C(=O)Nc1ccc(F)cc1.Cc1ccc(-c2cccn3c(-c4cccc(F)c4F)ncc23)c(F)c1C(=O)Nc1ccc(F)cc1.Cc1ccc(Br)c(F)c1C(=O)Nc1ccc(F)cc1.Fc1cccc(-c2ncc3c(Br)cccn23)c1F.OB(O)c1cccn2c(-c3cccc(F)c3F)ncc12.

What is the InChIKey of 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is AKPLBEVCYXENTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H17F4N3O.C14H10BrF2NO.C13H9BF2N2O2.C13H7BrF2N2.C12H24B2O4/c2*1-15-7-12-19(25(31)23(15)27(35)33-17-10-8-16(28)9-11-17)18-5-3-13-34-22(18)14-32-26(34)20-4-2-6-21(29)24(20)30;1-8-2-7-11(15)13(17)12(8)14(19)18-10-5-3-9(16)4-6-10;15-10-5-1-3-8(12(10)16)13-17-7-11-9(14(19)20)4-2-6-18(11)13;14-9-4-2-6-18-11(9)7-17-13(18)8-3-1-5-10(15)12(8)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*2-14H,1H3,(H,33,35);2-7H,1H3,(H,18,19);1-7,19-20H;1-7H;1-8H3.

What are the key properties of 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2114.12 g/mol, XLogP of 25.11, 14 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide;[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]boronic acid;bis(3-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-fluoro-N-(4-fluorophenyl)-6-methylbenzamide);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157145037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).