6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

C13H16BrN3O2 — CID 118598878

IUPAC6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(C)CC1
InChIInChI=1S/C13H16BrN3O2/c1-8-7-9(14)12(19)17-10(8)11(18)15-13(17)3-5-16(2)6-4-13/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyCBFPKSKTGBPLGD-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.04
Rot. Bonds

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

6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 118598878) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID118598878
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(C)CC1
InChIInChI=1S/C13H16BrN3O2/c1-8-7-9(14)12(19)17-10(8)11(18)15-13(17)3-5-16(2)6-4-13/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyCBFPKSKTGBPLGD-UHFFFAOYSA-N
XLogP1.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 118598878) is 6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCN(C)CC1.
What is the InChIKey of 6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is CBFPKSKTGBPLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-8-7-9(14)12(19)17-10(8)11(18)15-13(17)3-5-16(2)6-4-13/h7H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 326.19 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 118598878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).