6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

C14H16BrF2N3O2 — CID 118609546

IUPAC6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1c(CC(F)F)c(Br)c(=O)n2c1C(=O)NC21CCNCC1
InChIInChI=1S/C14H16BrF2N3O2/c1-7-8(6-9(16)17)10(15)13(22)20-11(7)12(21)19-14(20)2-4-18-5-3-14/h9,18H,2-6H2,1H3,(H,19,21)
InChIKeyUHDVALAKZQPHTJ-UHFFFAOYSA-N
MW376.20 g/mol
LogP1.51
Rot. Bonds2

About 6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 118609546) has the molecular formula C14H16BrF2N3O2 and a molecular weight of 376.20 g/mol. Its IUPAC name is 6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID118609546
Molecular FormulaC14H16BrF2N3O2
Molecular Weight376.20 g/mol
Exact Mass375.04
IUPAC Name6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1c(CC(F)F)c(Br)c(=O)n2c1C(=O)NC21CCNCC1
InChIInChI=1S/C14H16BrF2N3O2/c1-7-8(6-9(16)17)10(15)13(22)20-11(7)12(21)19-14(20)2-4-18-5-3-14/h9,18H,2-6H2,1H3,(H,19,21)
InChIKeyUHDVALAKZQPHTJ-UHFFFAOYSA-N
XLogP1.51
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 118609546) is 6-bromo-7-(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-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1c(CC(F)F)c(Br)c(=O)n2c1C(=O)NC21CCNCC1.
What is the InChIKey of 6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is UHDVALAKZQPHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3O2/c1-7-8(6-9(16)17)10(15)13(22)20-11(7)12(21)19-14(20)2-4-18-5-3-14/h9,18H,2-6H2,1H3,(H,19,21).
What are the key properties of 6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-bromo-7-(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 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 118609546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).