6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate

C57H40Br3FN10O6 — CID 159026670

About 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate

6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 159026670) has the molecular formula C57H40Br3FN10O6 and a molecular weight of 1219.72 g/mol. Its IUPAC name is 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate
• PubChem CID: 159026670
• Molecular Formula: C57H40Br3FN10O6
• Molecular Weight: 1219.72 g/mol
• Exact Mass: 1216.07
• IUPAC Name: 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate
• SMILES: COC(=O)c1c(Br)ccc2cncn12.N#Cc1ccc(CC(=O)Cc2c(-c3ccc(F)cc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2c(Br)ccc3cncn23)cc1.O=C(O)c1c(Br)ccc2cncn12
• InChI: InChI=1S/C23H16FN3O.C17H12BrN3O.C9H7BrN2O2.C8H5BrN2O2/c24-19-7-5-18(6-8-19)22-10-9-20-14-26-15-27(20)23(22)12-21(28)11-16-1-3-17(13-25)4-2-16;18-16-6-5-14-10-20-11-21(14)17(16)8-15(22)7-12-1-3-13(9-19)4-2-12;1-14-9(13)8-7(10)3-2-6-4-11-5-12(6)8;9-6-2-1-5-3-10-4-11(5)7(6)8(12)13/h1-10,14-15H,11-12H2;1-6,10-11H,7-8H2;2-5H,1H3;1-4H,(H,12,13)
• InChIKey: JUJAZAGCNQSJHI-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 214.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1219.72
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate?

The IUPAC name of 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate (CID 159026670) is 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate.

What is the SMILES notation for 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate?

The canonical SMILES for 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate is COC(=O)c1c(Br)ccc2cncn12.N#Cc1ccc(CC(=O)Cc2c(-c3ccc(F)cc3)ccc3cncn23)cc1.N#Cc1ccc(CC(=O)Cc2c(Br)ccc3cncn23)cc1.O=C(O)c1c(Br)ccc2cncn12.

What is the InChIKey of 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate?

The InChIKey is JUJAZAGCNQSJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O.C17H12BrN3O.C9H7BrN2O2.C8H5BrN2O2/c24-19-7-5-18(6-8-19)22-10-9-20-14-26-15-27(20)23(22)12-21(28)11-16-1-3-17(13-25)4-2-16;18-16-6-5-14-10-20-11-21(14)17(16)8-15(22)7-12-1-3-13(9-19)4-2-12;1-14-9(13)8-7(10)3-2-6-4-11-5-12(6)8;9-6-2-1-5-3-10-4-11(5)7(6)8(12)13/h1-10,14-15H,11-12H2;1-6,10-11H,7-8H2;2-5H,1H3;1-4H,(H,12,13).

What are the key properties of 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate?

6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 1219.72 g/mol, XLogP of 11.37, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 159026670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).