6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione

C15H20BrClN2O2 — CID 118599083

IUPAC6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC(C)(C)C1(C(C)(C)C)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C15H20BrClN2O2/c1-13(2,3)15(14(4,5)6)18-11(20)10-9(17)7-8(16)12(21)19(10)15/h7H,1-6H3,(H,18,20)
InChIKeyVABISAPMXVKGNE-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.75
Rot. Bonds

About 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione

6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118599083) has the molecular formula C15H20BrClN2O2 and a molecular weight of 375.69 g/mol. Its IUPAC name is 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118599083
Molecular FormulaC15H20BrClN2O2
Molecular Weight375.69 g/mol
Exact Mass374.04
IUPAC Name6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC(C)(C)C1(C(C)(C)C)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C15H20BrClN2O2/c1-13(2,3)15(14(4,5)6)18-11(20)10-9(17)7-8(16)12(21)19(10)15/h7H,1-6H3,(H,18,20)
InChIKeyVABISAPMXVKGNE-UHFFFAOYSA-N
XLogP3.75
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione with MolForge

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Related Compounds

6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane
CID 144985857
6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione
CID 118598915
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598724
7-bromo-5-chloro-3',3'-dimethylspiro[1,3-dihydropyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione
CID 146650378
6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione
CID 118598734
6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
CID 139387352
6-bromo-8-chloro-2,3-dimethyl-3-phenylimidazo[1,5-a]pyridine-1,5-dione
CID 144985885
6,8-dichlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 162475151
6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione
CID 166460740
6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine
CID 159863204
4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 130444092
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 161122031

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118599083) is 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione is CC(C)(C)C1(C(C)(C)C)NC(=O)c2c(Cl)cc(Br)c(=O)n21.
What is the InChIKey of 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is VABISAPMXVKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O2/c1-13(2,3)15(14(4,5)6)18-11(20)10-9(17)7-8(16)12(21)19(10)15/h7H,1-6H3,(H,18,20).
What are the key properties of 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 375.69 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118599083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).