6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

C23H21F3N6O — CID 155520043

IUPAC6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESCN1CCN(c2ccc(-c3cn4c(-c5cccc(OC(F)(F)F)c5)cnc4cn3)cn2)CC1
InChIInChI=1S/C23H21F3N6O/c1-30-7-9-31(10-8-30)21-6-5-17(12-28-21)19-15-32-20(13-29-22(32)14-27-19)16-3-2-4-18(11-16)33-23(24,25)26/h2-6,11-15H,7-10H2,1H3
InChIKeyFGMCIZAAWAYVHT-UHFFFAOYSA-N
MW454.46 g/mol
LogP4.11
Rot. Bonds4

About 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 155520043) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
PubChem CID155520043
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESCN1CCN(c2ccc(-c3cn4c(-c5cccc(OC(F)(F)F)c5)cnc4cn3)cn2)CC1
InChIInChI=1S/C23H21F3N6O/c1-30-7-9-31(10-8-30)21-6-5-17(12-28-21)19-15-32-20(13-29-22(32)14-27-19)16-3-2-4-18(11-16)33-23(24,25)26/h2-6,11-15H,7-10H2,1H3
InChIKeyFGMCIZAAWAYVHT-UHFFFAOYSA-N
XLogP4.11
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (CID 155520043) is 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is CN1CCN(c2ccc(-c3cn4c(-c5cccc(OC(F)(F)F)c5)cnc4cn3)cn2)CC1.
What is the InChIKey of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is FGMCIZAAWAYVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-30-7-9-31(10-8-30)21-6-5-17(12-28-21)19-15-32-20(13-29-22(32)14-27-19)16-3-2-4-18(11-16)33-23(24,25)26/h2-6,11-15H,7-10H2,1H3.
What are the key properties of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 454.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155520043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).