8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

C16H16F3N7O — CID 166605289

IUPAC8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCOc1ccnc(N2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)n1
InChIInChI=1S/C16H16F3N7O/c1-27-12-2-3-21-15(23-12)25-8-6-24(7-9-25)13-14-22-11(16(17,18)19)10-26(14)5-4-20-13/h2-5,10H,6-9H2,1H3
InChIKeyVSOPYOJFRNPUJR-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.87
Rot. Bonds3

About 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 166605289) has the molecular formula C16H16F3N7O and a molecular weight of 379.35 g/mol. Its IUPAC name is 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID166605289
Molecular FormulaC16H16F3N7O
Molecular Weight379.35 g/mol
Exact Mass379.14
IUPAC Name8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCOc1ccnc(N2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)n1
InChIInChI=1S/C16H16F3N7O/c1-27-12-2-3-21-15(23-12)25-8-6-24(7-9-25)13-14-22-11(16(17,18)19)10-26(14)5-4-20-13/h2-5,10H,6-9H2,1H3
InChIKeyVSOPYOJFRNPUJR-UHFFFAOYSA-N
XLogP1.87
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 166605289) is 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is COc1ccnc(N2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)n1.
What is the InChIKey of 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is VSOPYOJFRNPUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O/c1-27-12-2-3-21-15(23-12)25-8-6-24(7-9-25)13-14-22-11(16(17,18)19)10-26(14)5-4-20-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 379.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 166605289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).