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

C14H18F2N4O2 — CID 134382162

IUPAC6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(N)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
InChIInChI=1S/C14H18F2N4O2/c1-8-6-9(17)13(22)20-11(8)12(21)18-14(20)2-4-19(5-3-14)7-10(15)16/h6,10H,2-5,7,17H2,1H3,(H,18,21)
InChIKeyNRRLAMCVYOUFBA-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.50
Rot. Bonds2

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

6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 134382162) has the molecular formula C14H18F2N4O2 and a molecular weight of 312.32 g/mol. Its IUPAC name is 6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID134382162
Molecular FormulaC14H18F2N4O2
Molecular Weight312.32 g/mol
Exact Mass312.14
IUPAC Name6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(N)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
InChIInChI=1S/C14H18F2N4O2/c1-8-6-9(17)13(22)20-11(8)12(21)18-14(20)2-4-19(5-3-14)7-10(15)16/h6,10H,2-5,7,17H2,1H3,(H,18,21)
InChIKeyNRRLAMCVYOUFBA-UHFFFAOYSA-N
XLogP0.50
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 134382162) is 6-amino-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-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1cc(N)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1.
What is the InChIKey of 6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is NRRLAMCVYOUFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O2/c1-8-6-9(17)13(22)20-11(8)12(21)18-14(20)2-4-19(5-3-14)7-10(15)16/h6,10H,2-5,7,17H2,1H3,(H,18,21).
What are the key properties of 6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 312.32 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 134382162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).