8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide

C66H48BBr2F10N9O4 — CID 158477336

About 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide

8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 158477336) has the molecular formula C66H48BBr2F10N9O4 and a molecular weight of 1391.77 g/mol. Its IUPAC name is 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
• PubChem CID: 158477336
• Molecular Formula: C66H48BBr2F10N9O4
• Molecular Weight: 1391.77 g/mol
• Exact Mass: 1389.21
• IUPAC Name: 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
• SMILES: Brc1cccn2cncc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)c(F)c1.Fc1cccc(-c2ncc3c(Br)cccn23)c1F
• InChI: InChI=1S/C26H16F4N4O.C20H20BF4NO3.C13H7BrF2N2.C7H5BrN2/c1-14-19(26(35)33-16-7-8-20(27)22(29)11-16)10-15(12-31-14)17-5-3-9-34-23(17)13-32-25(34)18-4-2-6-21(28)24(18)30;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;14-9-4-2-6-18-11(9)7-17-13(18)8-3-1-5-10(15)12(8)16;8-6-2-1-3-10-5-9-4-7(6)10/h2-13H,1H3,(H,33,35);5-11H,1-4H3,(H,26,27);1-7H;1-5H
• InChIKey: HHCDJQXDZURFRP-UHFFFAOYSA-N
• XLogP: 16.72
• TPSA: 141.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1391.77
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?

The IUPAC name of 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide (CID 158477336) is 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide.

What is the SMILES notation for 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?

The canonical SMILES for 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide is Brc1cccn2cncc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)c(F)c1.Fc1cccc(-c2ncc3c(Br)cccn23)c1F.

What is the InChIKey of 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?

The InChIKey is HHCDJQXDZURFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4N4O.C20H20BF4NO3.C13H7BrF2N2.C7H5BrN2/c1-14-19(26(35)33-16-7-8-20(27)22(29)11-16)10-15(12-31-14)17-5-3-9-34-23(17)13-32-25(34)18-4-2-6-21(28)24(18)30;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;14-9-4-2-6-18-11(9)7-17-13(18)8-3-1-5-10(15)12(8)16;8-6-2-1-3-10-5-9-4-7(6)10/h2-13H,1H3,(H,33,35);5-11H,1-4H3,(H,26,27);1-7H;1-5H.

What are the key properties of 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?

8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 1391.77 g/mol, XLogP of 16.72, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 158477336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).