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

C11H12BrClN4O2 — CID 118598739

IUPAC6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESO=C1NC2(CNCCNC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H12BrClN4O2/c12-6-3-7(13)8-9(18)16-11(17(8)10(6)19)4-14-1-2-15-5-11/h3,14-15H,1-2,4-5H2,(H,16,18)
InChIKeyDEPPEZDWSZAPGM-UHFFFAOYSA-N
MW347.60 g/mol
LogP-0.15
Rot. Bonds

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

6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione (PubChem CID 118598739) has the molecular formula C11H12BrClN4O2 and a molecular weight of 347.60 g/mol. Its IUPAC name is 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione.

Molecular Properties

Compound Name6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione
PubChem CID118598739
Molecular FormulaC11H12BrClN4O2
Molecular Weight347.60 g/mol
Exact Mass345.98
IUPAC Name6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESO=C1NC2(CNCCNC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H12BrClN4O2/c12-6-3-7(13)8-9(18)16-11(17(8)10(6)19)4-14-1-2-15-5-11/h3,14-15H,1-2,4-5H2,(H,16,18)
InChIKeyDEPPEZDWSZAPGM-UHFFFAOYSA-N
XLogP-0.15
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione with MolForge

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Related Compounds

6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598570
6-Bromo-8-chloro-3,3-dimethyl-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
CID 118598687
6-bromo-8-chloro-spiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione
CID 118598730
ditert-butyl 6'-bromo-8'-chloro-1',5'-dioxospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1,4-dicarboxylate
CID 118598831
2-(6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-yl)acetonitrile
CID 118598837
6-bromo-8-chloro-spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 118598901
6-bromo-8-chloro-spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione hydrochloride
CID 118599017
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118599018
6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile
CID 140855310
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;ethane
CID 144985946
6'-bromo-8'-chloro-1',5'-dioxospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1,4-dicarboxylic acid
CID 151286081
6-Bromo-8-chloro-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
CID 151531875

Frequently Asked Questions

What is the IUPAC name of 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione?
The IUPAC name of 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione (CID 118598739) is 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione.
What is the SMILES notation for 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione?
The canonical SMILES for 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione is O=C1NC2(CNCCNC2)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione?
The InChIKey is DEPPEZDWSZAPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4O2/c12-6-3-7(13)8-9(18)16-11(17(8)10(6)19)4-14-1-2-15-5-11/h3,14-15H,1-2,4-5H2,(H,16,18).
What are the key properties of 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione?
6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione has a molecular weight of 347.60 g/mol, XLogP of -0.15, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromo-8'-chlorospiro[1,4-diazepane-6,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione is sourced from PubChem (CID 118598739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).