4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate

C15H13F3N5O2- — CID 145391093

IUPAC4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate
SMILESO=C1NC([O-])=NC12CCN(c1cc(C(F)(F)F)cn3cncc13)CC2
InChIInChI=1S/C15H14F3N5O2/c16-15(17,18)9-5-10(11-6-19-8-23(11)7-9)22-3-1-14(2-4-22)12(24)20-13(25)21-14/h5-8H,1-4H2,(H2,20,21,24,25)/p-1
InChIKeyCYNRATVVYMSMCU-UHFFFAOYSA-M
MW352.30 g/mol
LogP0.54
Rot. Bonds1

About 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate

4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate (PubChem CID 145391093) has the molecular formula C15H13F3N5O2- and a molecular weight of 352.30 g/mol. Its IUPAC name is 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate.

Molecular Properties

Compound Name4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate
PubChem CID145391093
Molecular FormulaC15H13F3N5O2-
Molecular Weight352.30 g/mol
Exact Mass352.10
IUPAC Name4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate
SMILESO=C1NC([O-])=NC12CCN(c1cc(C(F)(F)F)cn3cncc13)CC2
InChIInChI=1S/C15H14F3N5O2/c16-15(17,18)9-5-10(11-6-19-8-23(11)7-9)22-3-1-14(2-4-22)12(24)20-13(25)21-14/h5-8H,1-4H2,(H2,20,21,24,25)/p-1
InChIKeyCYNRATVVYMSMCU-UHFFFAOYSA-M
XLogP0.54
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate?
The IUPAC name of 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate (CID 145391093) is 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate.
What is the SMILES notation for 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate?
The canonical SMILES for 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate is O=C1NC([O-])=NC12CCN(c1cc(C(F)(F)F)cn3cncc13)CC2.
What is the InChIKey of 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate?
The InChIKey is CYNRATVVYMSMCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14F3N5O2/c16-15(17,18)9-5-10(11-6-19-8-23(11)7-9)22-3-1-14(2-4-22)12(24)20-13(25)21-14/h5-8H,1-4H2,(H2,20,21,24,25)/p-1.
What are the key properties of 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate?
4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate has a molecular weight of 352.30 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate is sourced from PubChem (CID 145391093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).