4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one

C26H24BrF2N3O2 — CID 159478514

About 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one

4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one (PubChem CID 159478514) has the molecular formula C26H24BrF2N3O2 and a molecular weight of 528.40 g/mol. Its IUPAC name is 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
• PubChem CID: 159478514
• Molecular Formula: C26H24BrF2N3O2
• Molecular Weight: 528.40 g/mol
• Exact Mass: 527.10
• IUPAC Name: 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CC(CN)c3cccc(Br)c3)n2c1
• InChI: InChI=1S/C26H24BrF2N3O2/c1-15-9-24(34-14-20-21(28)7-4-8-22(20)29)26-31-16(2)25(32(26)13-15)23(33)11-18(12-30)17-5-3-6-19(27)10-17/h3-10,13,18H,11-12,14,30H2,1-2H3
• InChIKey: LWRQQOSKVFPSSJ-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.40
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one?

The IUPAC name of 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one (CID 159478514) is 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one.

What is the SMILES notation for 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one?

The canonical SMILES for 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CC(CN)c3cccc(Br)c3)n2c1.

What is the InChIKey of 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one?

The InChIKey is LWRQQOSKVFPSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrF2N3O2/c1-15-9-24(34-14-20-21(28)7-4-8-22(20)29)26-31-16(2)25(32(26)13-15)23(33)11-18(12-30)17-5-3-6-19(27)10-17/h3-10,13,18H,11-12,14,30H2,1-2H3.

What are the key properties of 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one?

4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one has a molecular weight of 528.40 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one is sourced from PubChem (CID 159478514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).