6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

C15H17BrClF2N3O2 — CID 161071285

IUPAC6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCC(C)(C)N1CCC(F)(F)C2(C1)NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C15H17BrClF2N3O2/c1-13(2,3)21-5-4-14(18,19)15(7-21)20-11(23)10-9(17)6-8(16)12(24)22(10)15/h6H,4-5,7H2,1-3H3,(H,20,23)
InChIKeyUERPJTVVIAOZNB-UHFFFAOYSA-N
MW424.67 g/mol
LogP2.80
Rot. Bonds

About 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (PubChem CID 161071285) has the molecular formula C15H17BrClF2N3O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
PubChem CID161071285
Molecular FormulaC15H17BrClF2N3O2
Molecular Weight424.67 g/mol
Exact Mass423.02
IUPAC Name6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCC(C)(C)N1CCC(F)(F)C2(C1)NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C15H17BrClF2N3O2/c1-13(2,3)21-5-4-14(18,19)15(7-21)20-11(23)10-9(17)6-8(16)12(24)22(10)15/h6H,4-5,7H2,1-3H3,(H,20,23)
InChIKeyUERPJTVVIAOZNB-UHFFFAOYSA-N
XLogP2.80
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione with MolForge

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Related Compounds

6-bromo-8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598638
6'-Bromo-8'-chloro-4,4-difluoro-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
CID 118598773
6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598938
6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118599036
6-bromo-8-chloro-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118599108
tert-butyl 6-bromo-8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
CID 118604451
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
6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 150668848
(2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 162594654
(2'R)-6-bromo-2',8-dimethyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 162594657
6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598570
3-(6-bromo-8-chloro-1,5-dioxo-spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-yl)propanenitrile
CID 118598732

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (CID 161071285) is 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is CC(C)(C)N1CCC(F)(F)C2(C1)NC(=O)c1c(Cl)cc(Br)c(=O)n12.
What is the InChIKey of 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The InChIKey is UERPJTVVIAOZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClF2N3O2/c1-13(2,3)21-5-4-14(18,19)15(7-21)20-11(23)10-9(17)6-8(16)12(24)22(10)15/h6H,4-5,7H2,1-3H3,(H,20,23).
What are the key properties of 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione has a molecular weight of 424.67 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is sourced from PubChem (CID 161071285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).