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

C20H17F3N8 — CID 139357815

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

3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139357815) has the molecular formula C20H17F3N8 and a molecular weight of 426.41 g/mol. Its IUPAC name is 3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• PubChem CID: 139357815
• Molecular Formula: C20H17F3N8
• Molecular Weight: 426.41 g/mol
• Exact Mass: 426.15
• IUPAC Name: 3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• SMILES: FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5ncccn5)C4)n3)cnc2cn1
• InChI: InChI=1S/C20H17F3N8/c21-20(22,23)15-12-31-14(9-28-17(31)10-27-15)19-26-7-4-16(29-19)30-8-1-3-13(11-30)18-24-5-2-6-25-18/h2,4-7,9-10,12-13H,1,3,8,11H2
• InChIKey: FDZYLOPNPGLMMX-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 84.99 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.41
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139357815) is 3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

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

The canonical SMILES for 3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5ncccn5)C4)n3)cnc2cn1.

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

The InChIKey is FDZYLOPNPGLMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N8/c21-20(22,23)15-12-31-14(9-28-17(31)10-27-15)19-26-7-4-16(29-19)30-8-1-3-13(11-30)18-24-5-2-6-25-18/h2,4-7,9-10,12-13H,1,3,8,11H2.

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

3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 426.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).