8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

C17H15F3N8 — CID 166605646

IUPAC8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2ccnc(N3CCN(c4ncnc5[nH]ccc45)CC3)c2n1
InChIInChI=1S/C17H15F3N8/c18-17(19,20)12-9-28-4-3-22-15(16(28)25-12)27-7-5-26(6-8-27)14-11-1-2-21-13(11)23-10-24-14/h1-4,9-10H,5-8H2,(H,21,23,24)
InChIKeyCQNFWVWIXNKJBT-UHFFFAOYSA-N
MW388.36 g/mol
LogP2.35
Rot. Bonds2

About 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 166605646) has the molecular formula C17H15F3N8 and a molecular weight of 388.36 g/mol. Its IUPAC name is 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID166605646
Molecular FormulaC17H15F3N8
Molecular Weight388.36 g/mol
Exact Mass388.14
IUPAC Name8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2ccnc(N3CCN(c4ncnc5[nH]ccc45)CC3)c2n1
InChIInChI=1S/C17H15F3N8/c18-17(19,20)12-9-28-4-3-22-15(16(28)25-12)27-7-5-26(6-8-27)14-11-1-2-21-13(11)23-10-24-14/h1-4,9-10H,5-8H2,(H,21,23,24)
InChIKeyCQNFWVWIXNKJBT-UHFFFAOYSA-N
XLogP2.35
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(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

4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 166605509
8-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 166604624
8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 166605051
8-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 165433657
2-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]quinoxaline
CID 166605675
8-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 175651277
N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171997767
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146014294
4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110873280
3-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943787
4-N,4-N-dimethyl-6-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171997964

Frequently Asked Questions

What is the IUPAC name of 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 166605646) is 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is FC(F)(F)c1cn2ccnc(N3CCN(c4ncnc5[nH]ccc45)CC3)c2n1.
What is the InChIKey of 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is CQNFWVWIXNKJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N8/c18-17(19,20)12-9-28-4-3-22-15(16(28)25-12)27-7-5-26(6-8-27)14-11-1-2-21-13(11)23-10-24-14/h1-4,9-10H,5-8H2,(H,21,23,24).
What are the key properties of 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 388.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 166605646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).