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

C15H18BrF2N3O2 — CID 162594654

IUPAC(2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(CC(F)F)[C@H](C)C1
InChIInChI=1S/C15H18BrF2N3O2/c1-8-5-10(16)14(23)21-12(8)13(22)19-15(21)3-4-20(7-11(17)18)9(2)6-15/h5,9,11H,3-4,6-7H2,1-2H3,(H,19,22)/t9-,15?/m1/s1
InChIKeyUFUWVVURJYFGCX-WXMRUQJCSA-N
MW390.23 g/mol
LogP2.06
Rot. Bonds2

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

(2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 162594654) has the molecular formula C15H18BrF2N3O2 and a molecular weight of 390.23 g/mol. Its IUPAC name is (2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name(2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID162594654
Molecular FormulaC15H18BrF2N3O2
Molecular Weight390.23 g/mol
Exact Mass389.06
IUPAC Name(2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(CC(F)F)[C@H](C)C1
InChIInChI=1S/C15H18BrF2N3O2/c1-8-5-10(16)14(23)21-12(8)13(22)19-15(21)3-4-20(7-11(17)18)9(2)6-15/h5,9,11H,3-4,6-7H2,1-2H3,(H,19,22)/t9-,15?/m1/s1
InChIKeyUFUWVVURJYFGCX-WXMRUQJCSA-N
XLogP2.06
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of (2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 162594654) is (2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for (2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for (2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCN(CC(F)F)[C@H](C)C1.
What is the InChIKey of (2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is UFUWVVURJYFGCX-WXMRUQJCSA-N. The full InChI is InChI=1S/C15H18BrF2N3O2/c1-8-5-10(16)14(23)21-12(8)13(22)19-15(21)3-4-20(7-11(17)18)9(2)6-15/h5,9,11H,3-4,6-7H2,1-2H3,(H,19,22)/t9-,15?/m1/s1.
What are the key properties of (2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
(2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 390.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-6-bromo-1'-(2,2-difluoroethyl)-2',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 162594654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).