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

C17H14F5N5 — CID 165433657

IUPAC8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(N2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)c(F)c1
InChIInChI=1S/C17H14F5N5/c18-11-1-2-13(12(19)9-11)25-5-7-26(8-6-25)15-16-24-14(17(20,21)22)10-27(16)4-3-23-15/h1-4,9-10H,5-8H2
InChIKeyANDDLOOVPDAJAS-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.35
Rot. Bonds2

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

8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 165433657) has the molecular formula C17H14F5N5 and a molecular weight of 383.32 g/mol. Its IUPAC name is 8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID165433657
Molecular FormulaC17H14F5N5
Molecular Weight383.32 g/mol
Exact Mass383.12
IUPAC Name8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(N2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)c(F)c1
InChIInChI=1S/C17H14F5N5/c18-11-1-2-13(12(19)9-11)25-5-7-26(8-6-25)15-16-24-14(17(20,21)22)10-27(16)4-3-23-15/h1-4,9-10H,5-8H2
InChIKeyANDDLOOVPDAJAS-UHFFFAOYSA-N
XLogP3.35
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 165433657) is 8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Fc1ccc(N2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)c(F)c1.
What is the InChIKey of 8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is ANDDLOOVPDAJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N5/c18-11-1-2-13(12(19)9-11)25-5-7-26(8-6-25)15-16-24-14(17(20,21)22)10-27(16)4-3-23-15/h1-4,9-10H,5-8H2.
What are the key properties of 8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 383.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 165433657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).