7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane

C18H17F3N6O — CID 139358722

IUPAC7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC5(CC4)COC5)n3)cnc2cn1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)13-9-27-12(7-24-15(27)8-23-13)16-22-4-1-14(25-16)26-5-2-17(3-6-26)10-28-11-17/h1,4,7-9H,2-3,5-6,10-11H2
InChIKeyXIJKQCDTGCZJMS-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.82
Rot. Bonds2

About 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane

7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 139358722) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane
PubChem CID139358722
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC Name7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC5(CC4)COC5)n3)cnc2cn1
InChIInChI=1S/C18H17F3N6O/c19-18(20,21)13-9-27-12(7-24-15(27)8-23-13)16-22-4-1-14(25-16)26-5-2-17(3-6-26)10-28-11-17/h1,4,7-9H,2-3,5-6,10-11H2
InChIKeyXIJKQCDTGCZJMS-UHFFFAOYSA-N
XLogP2.82
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane (CID 139358722) is 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane is FC(F)(F)c1cn2c(-c3nccc(N4CCC5(CC4)COC5)n3)cnc2cn1.
What is the InChIKey of 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is XIJKQCDTGCZJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O/c19-18(20,21)13-9-27-12(7-24-15(27)8-23-13)16-22-4-1-14(25-16)26-5-2-17(3-6-26)10-28-11-17/h1,4,7-9H,2-3,5-6,10-11H2.
What are the key properties of 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane?
7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 390.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 139358722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).