2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline

C19H16F3N7 — CID 166605675

IUPAC2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline
SMILESFC(F)(F)c1cn2ccnc(N3CCN(c4cnc5ccccc5n4)CC3)c2n1
InChIInChI=1S/C19H16F3N7/c20-19(21,22)15-12-29-6-5-23-17(18(29)26-15)28-9-7-27(8-10-28)16-11-24-13-3-1-2-4-14(13)25-16/h1-6,11-12H,7-10H2
InChIKeyLKWMODOPRDGBKR-UHFFFAOYSA-N
MW399.38 g/mol
LogP3.02
Rot. Bonds2

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

2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline (PubChem CID 166605675) has the molecular formula C19H16F3N7 and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline
PubChem CID166605675
Molecular FormulaC19H16F3N7
Molecular Weight399.38 g/mol
Exact Mass399.14
IUPAC Name2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline
SMILESFC(F)(F)c1cn2ccnc(N3CCN(c4cnc5ccccc5n4)CC3)c2n1
InChIInChI=1S/C19H16F3N7/c20-19(21,22)15-12-29-6-5-23-17(18(29)26-15)28-9-7-27(8-10-28)16-11-24-13-3-1-2-4-14(13)25-16/h1-6,11-12H,7-10H2
InChIKeyLKWMODOPRDGBKR-UHFFFAOYSA-N
XLogP3.02
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline (CID 166605675) is 2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline is FC(F)(F)c1cn2ccnc(N3CCN(c4cnc5ccccc5n4)CC3)c2n1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline?
The InChIKey is LKWMODOPRDGBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7/c20-19(21,22)15-12-29-6-5-23-17(18(29)26-15)28-9-7-27(8-10-28)16-11-24-13-3-1-2-4-14(13)25-16/h1-6,11-12H,7-10H2.
What are the key properties of 2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline?
2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline has a molecular weight of 399.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 166605675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).