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

C12H15BrClN3O2 — CID 118599045

IUPAC6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCNCC1.Cl
InChIInChI=1S/C12H14BrN3O2.ClH/c1-7-6-8(13)11(18)16-9(7)10(17)15-12(16)2-4-14-5-3-12;/h6,14H,2-5H2,1H3,(H,15,17);1H
InChIKeyYJVFQBPRIXXNSF-UHFFFAOYSA-N
MW348.63 g/mol
LogP1.12
Rot. Bonds

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

6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride (PubChem CID 118599045) has the molecular formula C12H15BrClN3O2 and a molecular weight of 348.63 g/mol. Its IUPAC name is 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride.

Molecular Properties

Compound Name6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
PubChem CID118599045
Molecular FormulaC12H15BrClN3O2
Molecular Weight348.63 g/mol
Exact Mass347.00
IUPAC Name6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCNCC1.Cl
InChIInChI=1S/C12H14BrN3O2.ClH/c1-7-6-8(13)11(18)16-9(7)10(17)15-12(16)2-4-14-5-3-12;/h6,14H,2-5H2,1H3,(H,15,17);1H
InChIKeyYJVFQBPRIXXNSF-UHFFFAOYSA-N
XLogP1.12
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
The IUPAC name of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride (CID 118599045) is 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride.
What is the SMILES notation for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
The canonical SMILES for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCNCC1.Cl.
What is the InChIKey of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
The InChIKey is YJVFQBPRIXXNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2.ClH/c1-7-6-8(13)11(18)16-9(7)10(17)15-12(16)2-4-14-5-3-12;/h6,14H,2-5H2,1H3,(H,15,17);1H.
What are the key properties of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride has a molecular weight of 348.63 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride is sourced from PubChem (CID 118599045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).