4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C13H14F2N2O2 — CID 135259086

IUPAC4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)NC21CCC(F)(F)CC1
InChIInChI=1S/C13H14F2N2O2/c1-8-2-3-9(18)17-10(8)11(19)16-13(17)6-4-12(14,15)5-7-13/h2-3H,4-7H2,1H3,(H,16,19)
InChIKeyZSPSDVOSNALYMF-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.76
Rot. Bonds

About 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 135259086) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID135259086
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)NC21CCC(F)(F)CC1
InChIInChI=1S/C13H14F2N2O2/c1-8-2-3-9(18)17-10(8)11(19)16-13(17)6-4-12(14,15)5-7-13/h2-3H,4-7H2,1H3,(H,16,19)
InChIKeyZSPSDVOSNALYMF-UHFFFAOYSA-N
XLogP1.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6'-Bromo-4,4-difluoro-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
CID 118598972
6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 130444382
6-amino-8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 132122257
6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 134382162
(Z,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal
CID 135258960
8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 144985924
8-chloro-4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162572202
4',4'-difluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 164943114
4',4'-difluoro-6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 164943118
8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 164943120
4',4',8-trifluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 164943130
tert-butyl N-(4',4'-difluoro-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)carbamate
CID 177932435

Frequently Asked Questions

What is the IUPAC name of 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 135259086) is 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1ccc(=O)n2c1C(=O)NC21CCC(F)(F)CC1.
What is the InChIKey of 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is ZSPSDVOSNALYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-8-2-3-9(18)17-10(8)11(19)16-13(17)6-4-12(14,15)5-7-13/h2-3H,4-7H2,1H3,(H,16,19).
What are the key properties of 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 268.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 135259086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).