tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate

C16H21BrClN3O3 — CID 162475154

IUPACtert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C1)NCc1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C16H21BrClN3O3/c1-15(2,3)24-14(23)20-6-4-5-16(9-20)19-8-12-11(18)7-10(17)13(22)21(12)16/h7,19H,4-6,8-9H2,1-3H3
InChIKeyLKGJDLRUYFPASD-UHFFFAOYSA-N
MW418.72 g/mol
LogP3.05
Rot. Bonds

About tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate

tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate (PubChem CID 162475154) has the molecular formula C16H21BrClN3O3 and a molecular weight of 418.72 g/mol. Its IUPAC name is tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
PubChem CID162475154
Molecular FormulaC16H21BrClN3O3
Molecular Weight418.72 g/mol
Exact Mass417.05
IUPAC Nametert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C1)NCc1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C16H21BrClN3O3/c1-15(2,3)24-14(23)20-6-4-5-16(9-20)19-8-12-11(18)7-10(17)13(22)21(12)16/h7,19H,4-6,8-9H2,1-3H3
InChIKeyLKGJDLRUYFPASD-UHFFFAOYSA-N
XLogP3.05
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate with MolForge

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Related Compounds

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
tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate
CID 118598598
tert-butyl 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate
CID 118598783
tert-butyl 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate
CID 118598794
1'-acetyl-6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598849
6-bromo-8-chloro-spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 118598901
tert-butyl 6-chloro-1,5-dioxo-2,5-dihydro-1H-spiro[imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
CID 118598918
tert-butyl N-(6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1'-yl)-N-methylcarbamate
CID 118598930
tert-butyl 6-bromo-8-chloro-1,5-dioxo-spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
CID 118598947
tert-butyl 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-azepane]-1'-carboxylate
CID 118604629
tert-butyl N-(6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-yl)-N-methylcarbamate
CID 122659721
6'-bromo-8'-chloro-2'-methylspiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;tert-butyl N-[(E)-3-aminoprop-1-enyl]carbamate
CID 144985930

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate (CID 162475154) is tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCCC2(C1)NCc1c(Cl)cc(Br)c(=O)n12.
What is the InChIKey of tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate?
The InChIKey is LKGJDLRUYFPASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN3O3/c1-15(2,3)24-14(23)20-6-4-5-16(9-20)19-8-12-11(18)7-10(17)13(22)21(12)16/h7,19H,4-6,8-9H2,1-3H3.
What are the key properties of tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate?
tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate has a molecular weight of 418.72 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-bromo-8-chloro-5-oxospiro[1,2-dihydroimidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate is sourced from PubChem (CID 162475154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).