2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol

C17H18F3N7O — CID 139358652

About 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 139358652) has the molecular formula C17H18F3N7O and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
• PubChem CID: 139358652
• Molecular Formula: C17H18F3N7O
• Molecular Weight: 393.37 g/mol
• Exact Mass: 393.15
• IUPAC Name: 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
• SMILES: OCCN1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1
• InChI: InChI=1S/C17H18F3N7O/c18-17(19,20)13-11-27-12(9-23-15(27)10-22-13)16-21-2-1-14(24-16)26-5-3-25(4-6-26)7-8-28/h1-2,9-11,28H,3-8H2
• InChIKey: RDXLWTLZBLZDSQ-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.37
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 139358652) is 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol.

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

The canonical SMILES for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1.

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

The InChIKey is RDXLWTLZBLZDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O/c18-17(19,20)13-11-27-12(9-23-15(27)10-22-13)16-21-2-1-14(24-16)26-5-3-25(4-6-26)7-8-28/h1-2,9-11,28H,3-8H2.

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

2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 393.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 139358652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).