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

C14H16BrF2N3O2 — CID 118609549

IUPAC6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(CC(F)(F)Br)c(=O)n2c1C(=O)NC21CCNCC1
InChIInChI=1S/C14H16BrF2N3O2/c1-8-6-9(7-14(15,16)17)12(22)20-10(8)11(21)19-13(20)2-4-18-5-3-13/h6,18H,2-5,7H2,1H3,(H,19,21)
InChIKeyBKUSPMKQMMKNIS-UHFFFAOYSA-N
MW376.20 g/mol
LogP1.47
Rot. Bonds2

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

6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 118609549) has the molecular formula C14H16BrF2N3O2 and a molecular weight of 376.20 g/mol. Its IUPAC name is 6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID118609549
Molecular FormulaC14H16BrF2N3O2
Molecular Weight376.20 g/mol
Exact Mass375.04
IUPAC Name6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(CC(F)(F)Br)c(=O)n2c1C(=O)NC21CCNCC1
InChIInChI=1S/C14H16BrF2N3O2/c1-8-6-9(7-14(15,16)17)12(22)20-10(8)11(21)19-13(20)2-4-18-5-3-13/h6,18H,2-5,7H2,1H3,(H,19,21)
InChIKeyBKUSPMKQMMKNIS-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 118609549) is 6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1cc(CC(F)(F)Br)c(=O)n2c1C(=O)NC21CCNCC1.
What is the InChIKey of 6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is BKUSPMKQMMKNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3O2/c1-8-6-9(7-14(15,16)17)12(22)20-10(8)11(21)19-13(20)2-4-18-5-3-13/h6,18H,2-5,7H2,1H3,(H,19,21).
What are the key properties of 6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-(2-bromo-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 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 118609549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).