acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine

C83H62BBr3F16N12O8 — CID 159303324

About acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine

acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine (PubChem CID 159303324) has the molecular formula C83H62BBr3F16N12O8 and a molecular weight of 1909.98 g/mol. Its IUPAC name is acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine.

Molecular Properties

• Compound Name: acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine
• PubChem CID: 159303324
• Molecular Formula: C83H62BBr3F16N12O8
• Molecular Weight: 1909.98 g/mol
• Exact Mass: 1906.22
• IUPAC Name: acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine
• SMILES: BrBr.CC(=O)O.NCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.NCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1Br.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3cc(CN4CC(O)C4)nc23)ccc1C(F)(F)F.OB(O)c1cccc(F)c1F
• InChI: InChI=1S/C28H18F6N4O.C25H20F4N4O2.C22H15BrF4N4O.C6H5BF2O2.C2H4O2.Br2/c29-16-7-9-17(10-8-16)36-27(39)20-13-15(6-11-21(20)28(32,33)34)18-4-2-12-38-25(23(14-35)37-26(18)38)19-3-1-5-22(30)24(19)31;26-16-4-6-17(7-5-16)31-24(35)21-10-15(3-8-22(21)25(27,28)29)20-2-1-9-33-12-18(30-23(20)33)11-32-13-19(34)14-32;23-19-18(11-28)30-20-15(2-1-9-31(19)20)12-3-8-17(22(25,26)27)16(10-12)21(32)29-14-6-4-13(24)5-7-14;8-5-3-1-2-4(6(5)9)7(10)11;1-2(3)4;1-2/h1-13H,14,35H2,(H,36,39);1-10,12,19,34H,11,13-14H2,(H,31,35);1-10H,11,28H2,(H,29,32);1-3,10-11H;1H3,(H,3,4)
• InChIKey: CIVDERSXMZWIIA-UHFFFAOYSA-N
• XLogP: 18.46
• TPSA: 292.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1909.98
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine?

The IUPAC name of acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine (CID 159303324) is acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine.

What is the SMILES notation for acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine?

The canonical SMILES for acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine is BrBr.CC(=O)O.NCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.NCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1Br.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3cc(CN4CC(O)C4)nc23)ccc1C(F)(F)F.OB(O)c1cccc(F)c1F.

What is the InChIKey of acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine?

The InChIKey is CIVDERSXMZWIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F6N4O.C25H20F4N4O2.C22H15BrF4N4O.C6H5BF2O2.C2H4O2.Br2/c29-16-7-9-17(10-8-16)36-27(39)20-13-15(6-11-21(20)28(32,33)34)18-4-2-12-38-25(23(14-35)37-26(18)38)19-3-1-5-22(30)24(19)31;26-16-4-6-17(7-5-16)31-24(35)21-10-15(3-8-22(21)25(27,28)29)20-2-1-9-33-12-18(30-23(20)33)11-32-13-19(34)14-32;23-19-18(11-28)30-20-15(2-1-9-31(19)20)12-3-8-17(22(25,26)27)16(10-12)21(32)29-14-6-4-13(24)5-7-14;8-5-3-1-2-4(6(5)9)7(10)11;1-2(3)4;1-2/h1-13H,14,35H2,(H,36,39);1-10,12,19,34H,11,13-14H2,(H,31,35);1-10H,11,28H2,(H,29,32);1-3,10-11H;1H3,(H,3,4);.

What are the key properties of acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine?

acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine has a molecular weight of 1909.98 g/mol, XLogP of 18.46, 15 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;5-[2-(aminomethyl)-3-bromoimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;(2,3-difluorophenyl)boronic acid;N-(4-fluorophenyl)-5-[2-[(3-hydroxyazetidin-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;molecular bromine is sourced from PubChem (CID 159303324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).