6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C12H14FN3O2 — CID 130444382

IUPAC6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESNc1c(F)cc2n(c1=O)C1(CCCCC1)NC2=O
InChIInChI=1S/C12H14FN3O2/c13-7-6-8-10(17)15-12(4-2-1-3-5-12)16(8)11(18)9(7)14/h6H,1-5,14H2,(H,15,17)
InChIKeyGIUKYDTUOLAAOH-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.93
Rot. Bonds

About 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 130444382) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID130444382
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESNc1c(F)cc2n(c1=O)C1(CCCCC1)NC2=O
InChIInChI=1S/C12H14FN3O2/c13-7-6-8-10(17)15-12(4-2-1-3-5-12)16(8)11(18)9(7)14/h6H,1-5,14H2,(H,15,17)
InChIKeyGIUKYDTUOLAAOH-UHFFFAOYSA-N
XLogP0.93
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 130444382) is 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Nc1c(F)cc2n(c1=O)C1(CCCCC1)NC2=O.
What is the InChIKey of 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is GIUKYDTUOLAAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-7-6-8-10(17)15-12(4-2-1-3-5-12)16(8)11(18)9(7)14/h6H,1-5,14H2,(H,15,17).
What are the key properties of 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 251.26 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 130444382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).