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3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C23H25F3N8 — CID 159637451

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCCN1C(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C1C1=CCN=C1
InChIInChI=1S/C23H25F3N8/c1-4-32-14(2)12-33(15(3)21(32)16-5-7-27-9-16)19-6-8-28-22(31-19)17-10-30-20-11-29-18(13-34(17)20)23(24,25)26/h5-6,8-11,13-15,21H,4,7,12H2,1-3H3
InChIKeyRTXUQCYGPMNLSG-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.50
Rot. Bonds4

About 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 159637451) has the molecular formula C23H25F3N8 and a molecular weight of 470.50 g/mol. Its IUPAC name is 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID159637451
Molecular FormulaC23H25F3N8
Molecular Weight470.50 g/mol
Exact Mass470.22
IUPAC Name3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCCN1C(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C1C1=CCN=C1
InChIInChI=1S/C23H25F3N8/c1-4-32-14(2)12-33(15(3)21(32)16-5-7-27-9-16)19-6-8-28-22(31-19)17-10-30-20-11-29-18(13-34(17)20)23(24,25)26/h5-6,8-11,13-15,21H,4,7,12H2,1-3H3
InChIKeyRTXUQCYGPMNLSG-UHFFFAOYSA-N
XLogP3.50
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 159637451) is 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CCN1C(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C1C1=CCN=C1.
What is the InChIKey of 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is RTXUQCYGPMNLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N8/c1-4-32-14(2)12-33(15(3)21(32)16-5-7-27-9-16)19-6-8-28-22(31-19)17-10-30-20-11-29-18(13-34(17)20)23(24,25)26/h5-6,8-11,13-15,21H,4,7,12H2,1-3H3.
What are the key properties of 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 470.50 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-ethyl-2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 159637451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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