6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione

C15H7BrClFN2O3 — CID 118598734

IUPAC6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione
SMILESO=C1CC2(NC(=O)c3c(Cl)cc(Br)c(=O)n32)c2cc(F)ccc21
InChIInChI=1S/C15H7BrClFN2O3/c16-9-4-10(17)12-13(22)19-15(20(12)14(9)23)5-11(21)7-2-1-6(18)3-8(7)15/h1-4H,5H2,(H,19,22)
InChIKeyPRYDBTUCZWBOHL-UHFFFAOYSA-N
MW397.59 g/mol
LogP2.43
Rot. Bonds

About 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione

6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione (PubChem CID 118598734) has the molecular formula C15H7BrClFN2O3 and a molecular weight of 397.59 g/mol. Its IUPAC name is 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione.

Molecular Properties

Compound Name6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione
PubChem CID118598734
Molecular FormulaC15H7BrClFN2O3
Molecular Weight397.59 g/mol
Exact Mass395.93
IUPAC Name6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione
SMILESO=C1CC2(NC(=O)c3c(Cl)cc(Br)c(=O)n32)c2cc(F)ccc21
InChIInChI=1S/C15H7BrClFN2O3/c16-9-4-10(17)12-13(22)19-15(20(12)14(9)23)5-11(21)7-2-1-6(18)3-8(7)15/h1-4H,5H2,(H,19,22)
InChIKeyPRYDBTUCZWBOHL-UHFFFAOYSA-N
XLogP2.43
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
CID 118598615
6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione
CID 118598915
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-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
tert-butyl 8-chloro-5'-fluoro-1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
CID 118598833
6,8-dichlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 162475151
3,3,5-tribromo-2H-inden-1-one
CID 164519689
3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione
CID 106695022
6-fluoro-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 138749776
4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 10975535
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione?
The IUPAC name of 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione (CID 118598734) is 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione.
What is the SMILES notation for 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione?
The canonical SMILES for 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione is O=C1CC2(NC(=O)c3c(Cl)cc(Br)c(=O)n32)c2cc(F)ccc21.
What is the InChIKey of 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione?
The InChIKey is PRYDBTUCZWBOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClFN2O3/c16-9-4-10(17)12-13(22)19-15(20(12)14(9)23)5-11(21)7-2-1-6(18)3-8(7)15/h1-4H,5H2,(H,19,22).
What are the key properties of 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione?
6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione has a molecular weight of 397.59 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione is sourced from PubChem (CID 118598734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).