4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine

C17H14F3N7S — CID 166605539

IUPAC4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1cn2ccnc(N3CCN(c4ncnc5ccsc45)CC3)c2n1
InChIInChI=1S/C17H14F3N7S/c18-17(19,20)12-9-27-3-2-21-15(16(27)24-12)26-6-4-25(5-7-26)14-13-11(1-8-28-13)22-10-23-14/h1-3,8-10H,4-7H2
InChIKeyCODYKVKJCYKNLT-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.08
Rot. Bonds2

About 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine

4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 166605539) has the molecular formula C17H14F3N7S and a molecular weight of 405.41 g/mol. Its IUPAC name is 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID166605539
Molecular FormulaC17H14F3N7S
Molecular Weight405.41 g/mol
Exact Mass405.10
IUPAC Name4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1cn2ccnc(N3CCN(c4ncnc5ccsc45)CC3)c2n1
InChIInChI=1S/C17H14F3N7S/c18-17(19,20)12-9-27-3-2-21-15(16(27)24-12)26-6-4-25(5-7-26)14-13-11(1-8-28-13)22-10-23-14/h1-3,8-10H,4-7H2
InChIKeyCODYKVKJCYKNLT-UHFFFAOYSA-N
XLogP3.08
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 166604624
4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 166605509
8-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 166605646
4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171130407
4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 154883702
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-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 166605051
8-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 175651277
3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 166605079
2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile
CID 60702030
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[3,2-d]pyrimidine
CID 163356596

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 166605539) is 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine is FC(F)(F)c1cn2ccnc(N3CCN(c4ncnc5ccsc45)CC3)c2n1.
What is the InChIKey of 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is CODYKVKJCYKNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7S/c18-17(19,20)12-9-27-3-2-21-15(16(27)24-12)26-6-4-25(5-7-26)14-13-11(1-8-28-13)22-10-23-14/h1-3,8-10H,4-7H2.
What are the key properties of 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 405.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 166605539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).