6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

C14H15F3N4 — CID 170785117

IUPAC6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2cc(CC3CC4(CNC4)C3)ncc2n1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-6-21-5-10(19-4-12(21)20-11)1-9-2-13(3-9)7-18-8-13/h4-6,9,18H,1-3,7-8H2
InChIKeyADXVRSCGZJWNQT-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.29
Rot. Bonds2

About 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 170785117) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID170785117
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2cc(CC3CC4(CNC4)C3)ncc2n1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-6-21-5-10(19-4-12(21)20-11)1-9-2-13(3-9)7-18-8-13/h4-6,9,18H,1-3,7-8H2
InChIKeyADXVRSCGZJWNQT-UHFFFAOYSA-N
XLogP2.29
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 170785117) is 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is FC(F)(F)c1cn2cc(CC3CC4(CNC4)C3)ncc2n1.
What is the InChIKey of 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is ADXVRSCGZJWNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)11-6-21-5-10(19-4-12(21)20-11)1-9-2-13(3-9)7-18-8-13/h4-6,9,18H,1-3,7-8H2.
What are the key properties of 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 296.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 170785117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).