6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

C14H16BrF2N3O2 — CID 118598938

IUPAC6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
InChIInChI=1S/C14H16BrF2N3O2/c1-8-6-9(15)13(22)20-11(8)12(21)18-14(20)2-4-19(5-3-14)7-10(16)17/h6,10H,2-5,7H2,1H3,(H,18,21)
InChIKeyLJGNXOZOMZWPSU-UHFFFAOYSA-N
MW376.20 g/mol
LogP1.68
Rot. Bonds2

About 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 118598938) has the molecular formula C14H16BrF2N3O2 and a molecular weight of 376.20 g/mol. Its IUPAC name is 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID118598938
Molecular FormulaC14H16BrF2N3O2
Molecular Weight376.20 g/mol
Exact Mass375.04
IUPAC Name6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
InChIInChI=1S/C14H16BrF2N3O2/c1-8-6-9(15)13(22)20-11(8)12(21)18-14(20)2-4-19(5-3-14)7-10(16)17/h6,10H,2-5,7H2,1H3,(H,18,21)
InChIKeyLJGNXOZOMZWPSU-UHFFFAOYSA-N
XLogP1.68
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 118598938) is 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1.
What is the InChIKey of 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is LJGNXOZOMZWPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3O2/c1-8-6-9(15)13(22)20-11(8)12(21)18-14(20)2-4-19(5-3-14)7-10(16)17/h6,10H,2-5,7H2,1H3,(H,18,21).
What are the key properties of 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 376.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 118598938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).