3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C20H21F3N6O — CID 139358037

About 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139358037) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• PubChem CID: 139358037
• Molecular Formula: C20H21F3N6O
• Molecular Weight: 418.42 g/mol
• Exact Mass: 418.17
• IUPAC Name: 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• SMILES: FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5CCOC5)C4)n3)cnc2cn1
• InChI: InChI=1S/C20H21F3N6O/c21-20(22,23)16-11-29-15(8-26-18(29)9-25-16)19-24-5-3-17(27-19)28-6-1-2-13(10-28)14-4-7-30-12-14/h3,5,8-9,11,13-14H,1-2,4,6-7,10,12H2
• InChIKey: TUPXKZGKWZDLPC-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 68.44 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.42
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The IUPAC name of 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139358037) is 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

What is the SMILES notation for 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The canonical SMILES for 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5CCOC5)C4)n3)cnc2cn1.

What is the InChIKey of 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The InChIKey is TUPXKZGKWZDLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O/c21-20(22,23)16-11-29-15(8-26-18(29)9-25-16)19-24-5-3-17(27-19)28-6-1-2-13(10-28)14-4-7-30-12-14/h3,5,8-9,11,13-14H,1-2,4,6-7,10,12H2.

What are the key properties of 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?

3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 418.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-(oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).