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

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

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

Launch Full Analysis

Related Compounds

2-[3,6-dimethyl-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 139343246
3-[4-[3-methoxy-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 157105084
dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-λ6-sulfane
CID 148757797
tris([1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane);bis(3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
CID 161338536
3-[4-[2-methyl-5-propan-2-yl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343726
3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358816
3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343508
3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343812
1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol
CID 139358662
(Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane
CID 153330909
3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358750
1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357653

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).