5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole

C19H16F3N7S — CID 139357396

IUPAC5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5cncs5)C4)n3)cnc2cn1
InChIInChI=1S/C19H16F3N7S/c20-19(21,22)15-10-29-13(6-26-17(29)8-25-15)18-24-4-3-16(27-18)28-5-1-2-12(9-28)14-7-23-11-30-14/h3-4,6-8,10-12H,1-2,5,9H2
InChIKeyXXZRFDYPUQHQHW-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.05
Rot. Bonds3

About 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole

5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole (PubChem CID 139357396) has the molecular formula C19H16F3N7S and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
PubChem CID139357396
Molecular FormulaC19H16F3N7S
Molecular Weight431.45 g/mol
Exact Mass431.11
IUPAC Name5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5cncs5)C4)n3)cnc2cn1
InChIInChI=1S/C19H16F3N7S/c20-19(21,22)15-10-29-13(6-26-17(29)8-25-15)18-24-4-3-16(27-18)28-5-1-2-12(9-28)14-7-23-11-30-14/h3-4,6-8,10-12H,1-2,5,9H2
InChIKeyXXZRFDYPUQHQHW-UHFFFAOYSA-N
XLogP4.05
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole (CID 139357396) is 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole is FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5cncs5)C4)n3)cnc2cn1.
What is the InChIKey of 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
The InChIKey is XXZRFDYPUQHQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7S/c20-19(21,22)15-10-29-13(6-26-17(29)8-25-15)18-24-4-3-16(27-18)28-5-1-2-12(9-28)14-7-23-11-30-14/h3-4,6-8,10-12H,1-2,5,9H2.
What are the key properties of 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole has a molecular weight of 431.45 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 139357396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).