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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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).