2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid

C25H22BrN5O2 — CID 67843183

About 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid

2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid (PubChem CID 67843183) has the molecular formula C25H22BrN5O2 and a molecular weight of 504.39 g/mol. Its IUPAC name is 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid.

Molecular Properties

• Compound Name: 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
• PubChem CID: 67843183
• Molecular Formula: C25H22BrN5O2
• Molecular Weight: 504.39 g/mol
• Exact Mass: 503.10
• IUPAC Name: 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
• SMILES: CCCCc1nc2cccnc2n1Cc1ccc2nc(-c3ccccc3C(=O)O)c(Br)n2c1
• InChI: InChI=1S/C25H22BrN5O2/c1-2-3-10-20-28-19-9-6-13-27-24(19)31(20)15-16-11-12-21-29-22(23(26)30(21)14-16)17-7-4-5-8-18(17)25(32)33/h4-9,11-14H,2-3,10,15H2,1H3,(H,32,33)
• InChIKey: UPIWUUKFQHLMCH-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 85.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.39
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid?

The IUPAC name of 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid (CID 67843183) is 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid.

What is the SMILES notation for 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid?

The canonical SMILES for 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid is CCCCc1nc2cccnc2n1Cc1ccc2nc(-c3ccccc3C(=O)O)c(Br)n2c1.

What is the InChIKey of 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid?

The InChIKey is UPIWUUKFQHLMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN5O2/c1-2-3-10-20-28-19-9-6-13-27-24(19)31(20)15-16-11-12-21-29-22(23(26)30(21)14-16)17-7-4-5-8-18(17)25(32)33/h4-9,11-14H,2-3,10,15H2,1H3,(H,32,33).

What are the key properties of 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid?

2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid has a molecular weight of 504.39 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 67843183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).