3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine

C19H17F6N5 — CID 126471827

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine
SMILESCN1CCN(c2nccn3c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cnc23)CC1
InChIInChI=1S/C19H17F6N5/c1-28-4-6-29(7-5-28)16-17-27-11-15(30(17)3-2-26-16)12-8-13(18(20,21)22)10-14(9-12)19(23,24)25/h2-3,8-11H,4-7H2,1H3
InChIKeyYPMBHLFPFVWXBN-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.19
Rot. Bonds2

About 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine

3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine (PubChem CID 126471827) has the molecular formula C19H17F6N5 and a molecular weight of 429.37 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine
PubChem CID126471827
Molecular FormulaC19H17F6N5
Molecular Weight429.37 g/mol
Exact Mass429.14
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine
SMILESCN1CCN(c2nccn3c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cnc23)CC1
InChIInChI=1S/C19H17F6N5/c1-28-4-6-29(7-5-28)16-17-27-11-15(30(17)3-2-26-16)12-8-13(18(20,21)22)10-14(9-12)19(23,24)25/h2-3,8-11H,4-7H2,1H3
InChIKeyYPMBHLFPFVWXBN-UHFFFAOYSA-N
XLogP4.19
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine (CID 126471827) is 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine is CN1CCN(c2nccn3c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cnc23)CC1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine?
The InChIKey is YPMBHLFPFVWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N5/c1-28-4-6-29(7-5-28)16-17-27-11-15(30(17)3-2-26-16)12-8-13(18(20,21)22)10-14(9-12)19(23,24)25/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine?
3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine has a molecular weight of 429.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 126471827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).