3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C18H18F3N7 — CID 139343289

IUPAC3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC5(CC4)CNC5)n3)cnc2cn1
InChIInChI=1S/C18H18F3N7/c19-18(20,21)13-9-28-12(7-25-15(28)8-24-13)16-23-4-1-14(26-16)27-5-2-17(3-6-27)10-22-11-17/h1,4,7-9,22H,2-3,5-6,10-11H2
InChIKeyJQSORQUIBUAXMY-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.39
Rot. Bonds2

About 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343289) has the molecular formula C18H18F3N7 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139343289
Molecular FormulaC18H18F3N7
Molecular Weight389.39 g/mol
Exact Mass389.16
IUPAC Name3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC5(CC4)CNC5)n3)cnc2cn1
InChIInChI=1S/C18H18F3N7/c19-18(20,21)13-9-28-12(7-25-15(28)8-24-13)16-23-4-1-14(26-16)27-5-2-17(3-6-27)10-22-11-17/h1,4,7-9,22H,2-3,5-6,10-11H2
InChIKeyJQSORQUIBUAXMY-UHFFFAOYSA-N
XLogP2.39
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343289) is 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is FC(F)(F)c1cn2c(-c3nccc(N4CCC5(CC4)CNC5)n3)cnc2cn1.
What is the InChIKey of 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is JQSORQUIBUAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7/c19-18(20,21)13-9-28-12(7-25-15(28)8-24-13)16-23-4-1-14(26-16)27-5-2-17(3-6-27)10-22-11-17/h1,4,7-9,22H,2-3,5-6,10-11H2.
What are the key properties of 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 389.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).