6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C13H15BrClN3O2 — CID 118598714

About 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 118598714) has the molecular formula C13H15BrClN3O2 and a molecular weight of 360.64 g/mol. Its IUPAC name is 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

• Compound Name: 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
• PubChem CID: 118598714
• Molecular Formula: C13H15BrClN3O2
• Molecular Weight: 360.64 g/mol
• Exact Mass: 359.00
• IUPAC Name: 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
• SMILES: CNC1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12
• InChI: InChI=1S/C13H15BrClN3O2/c1-16-7-2-4-13(5-3-7)17-11(19)10-9(15)6-8(14)12(20)18(10)13/h6-7,16H,2-5H2,1H3,(H,17,19)
• InChIKey: DMVXCZHQGOCUNI-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 63.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.64
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The IUPAC name of 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 118598714) is 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

What is the SMILES notation for 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The canonical SMILES for 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is CNC1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12.

What is the InChIKey of 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

The InChIKey is DMVXCZHQGOCUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O2/c1-16-7-2-4-13(5-3-7)17-11(19)10-9(15)6-8(14)12(20)18(10)13/h6-7,16H,2-5H2,1H3,(H,17,19).

What are the key properties of 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?

6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 360.64 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118598714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).