tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate

C19H16BrClFN3O4 — CID 118598615

IUPACtert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(NC(=O)c3c(Cl)cc(Br)c(=O)n32)c2cc(F)ccc21
InChIInChI=1S/C19H16BrClFN3O4/c1-18(2,3)29-17(28)24-8-19(10-6-9(22)4-5-13(10)24)23-15(26)14-12(21)7-11(20)16(27)25(14)19/h4-7H,8H2,1-3H3,(H,23,26)
InChIKeyAELHOWFBAPHBEN-UHFFFAOYSA-N
MW484.71 g/mol
LogP3.60
Rot. Bonds

About tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate

tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate (PubChem CID 118598615) has the molecular formula C19H16BrClFN3O4 and a molecular weight of 484.71 g/mol. Its IUPAC name is tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
PubChem CID118598615
Molecular FormulaC19H16BrClFN3O4
Molecular Weight484.71 g/mol
Exact Mass483.00
IUPAC Nametert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(NC(=O)c3c(Cl)cc(Br)c(=O)n32)c2cc(F)ccc21
InChIInChI=1S/C19H16BrClFN3O4/c1-18(2,3)29-17(28)24-8-19(10-6-9(22)4-5-13(10)24)23-15(26)14-12(21)7-11(20)16(27)25(14)19/h4-7H,8H2,1-3H3,(H,23,26)
InChIKeyAELHOWFBAPHBEN-UHFFFAOYSA-N
XLogP3.60
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate with MolForge

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Related Compounds

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
tert-butyl 8-chloro-1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
CID 118598921
tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 143399561
6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118599083
6'-[(6-aminopyrimidin-4-yl)amino]-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;6'-bromo-8'-chloro-5-fluorospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;tert-butyl N-[6-[(8'-chloro-5-fluoro-1',5'-dioxospiro[1,2-dihydroindene-3,3'-2H-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]carbamate;6-fluoro-2,3-dihydroinden-1-one;hydrochloride
CID 159853680
5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl 6'-bromo-8'-chloro-6-fluoro-1',5'-dioxospiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 8'-chloro-6-fluoro-1',5'-dioxo-6'-(pyrimidin-4-ylamino)spiro[1,3-dihydroisoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-2-carboxylate;tert-butyl 6-fluoro-4-oxo-1,3-dihydroisoquinoline-2-carboxylate;8'-chloro-6-fluoro-6'-(pyrimidin-4-ylamino)spiro[2,3-dihydro-1H-isoquinoline-4,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione;pyrimidin-4-amine
CID 160871304
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
tert-butyl 6-(4-chloro-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 156503410
6-bromo-8-chloro-1'-ethyl-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclobutane]-1,5-dione;tert-butyl N-[(E)-4-aminobut-2-en-2-yl]carbamate
CID 144985967
tert-butyl 6-(4-fluorobenzoyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylate
CID 176773623
tert-butyl 3-(3-chloro-5-fluoroindol-1-yl)azetidine-1-carboxylate
CID 142381652
tert-butyl 5-fluoro-1'-(8-phenylmethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59433302

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate?
The IUPAC name of 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) is tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate is CC(C)(C)OC(=O)N1CC2(NC(=O)c3c(Cl)cc(Br)c(=O)n32)c2cc(F)ccc21.
What is the InChIKey of tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate?
The InChIKey is AELHOWFBAPHBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClFN3O4/c1-18(2,3)29-17(28)24-8-19(10-6-9(22)4-5-13(10)24)23-15(26)14-12(21)7-11(20)16(27)25(14)19/h4-7H,8H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate?
tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate has a molecular weight of 484.71 g/mol, XLogP of 3.60, 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'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate is sourced from PubChem (CID 118598615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).