6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

C15H17BrF3N3O2 — CID 134381610

IUPAC6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)C(C)C1
InChIInChI=1S/C15H17BrF3N3O2/c1-8-5-10(16)13(24)22-11(8)12(23)20-14(22)3-4-21(9(2)6-14)7-15(17,18)19/h5,9H,3-4,6-7H2,1-2H3,(H,20,23)
InChIKeyHLFCOEITWDDTEC-UHFFFAOYSA-N
MW408.22 g/mol
LogP2.36
Rot. Bonds1

About 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 134381610) has the molecular formula C15H17BrF3N3O2 and a molecular weight of 408.22 g/mol. Its IUPAC name is 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID134381610
Molecular FormulaC15H17BrF3N3O2
Molecular Weight408.22 g/mol
Exact Mass407.05
IUPAC Name6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)C(C)C1
InChIInChI=1S/C15H17BrF3N3O2/c1-8-5-10(16)13(24)22-11(8)12(23)20-14(22)3-4-21(9(2)6-14)7-15(17,18)19/h5,9H,3-4,6-7H2,1-2H3,(H,20,23)
InChIKeyHLFCOEITWDDTEC-UHFFFAOYSA-N
XLogP2.36
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 134381610) is 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)C(C)C1.
What is the InChIKey of 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is HLFCOEITWDDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF3N3O2/c1-8-5-10(16)13(24)22-11(8)12(23)20-14(22)3-4-21(9(2)6-14)7-15(17,18)19/h5,9H,3-4,6-7H2,1-2H3,(H,20,23).
What are the key properties of 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 408.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 134381610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).