1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione

C14H16F2N2O2 — CID 167571129

IUPAC1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione
SMILESCc1cc(F)c2n(c1=O)C1(CCC(C)(F)CC1)NC2=O
InChIInChI=1S/C14H16F2N2O2/c1-8-7-9(15)10-11(19)17-14(18(10)12(8)20)5-3-13(2,16)4-6-14/h7H,3-6H2,1-2H3,(H,17,19)
InChIKeyCRRRCZNSWZABDM-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.99
Rot. Bonds

About 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione

1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione (PubChem CID 167571129) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione
PubChem CID167571129
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione
SMILESCc1cc(F)c2n(c1=O)C1(CCC(C)(F)CC1)NC2=O
InChIInChI=1S/C14H16F2N2O2/c1-8-7-9(15)10-11(19)17-14(18(10)12(8)20)5-3-13(2,16)4-6-14/h7H,3-6H2,1-2H3,(H,17,19)
InChIKeyCRRRCZNSWZABDM-UHFFFAOYSA-N
XLogP1.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione?
The IUPAC name of 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione (CID 167571129) is 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione.
What is the SMILES notation for 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione?
The canonical SMILES for 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione is Cc1cc(F)c2n(c1=O)C1(CCC(C)(F)CC1)NC2=O.
What is the InChIKey of 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione?
The InChIKey is CRRRCZNSWZABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-8-7-9(15)10-11(19)17-14(18(10)12(8)20)5-3-13(2,16)4-6-14/h7H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione?
1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione has a molecular weight of 282.29 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',8-difluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione is sourced from PubChem (CID 167571129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).