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

C19H16F3N7S — CID 139357771

IUPAC2-[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(c5nccs5)C4)n3)cnc2cn1
InChIInChI=1S/C19H16F3N7S/c20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18-24-5-7-30-18/h3-5,7-9,11-12H,1-2,6,10H2
InChIKeyZDPAIJXGMNWCIU-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.05
Rot. Bonds3

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

2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole (PubChem CID 139357771) has the molecular formula C19H16F3N7S and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
PubChem CID139357771
Molecular FormulaC19H16F3N7S
Molecular Weight431.45 g/mol
Exact Mass431.11
IUPAC Name2-[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(c5nccs5)C4)n3)cnc2cn1
InChIInChI=1S/C19H16F3N7S/c20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18-24-5-7-30-18/h3-5,7-9,11-12H,1-2,6,10H2
InChIKeyZDPAIJXGMNWCIU-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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Related Compounds

CID 139343363
CID 139343363
CID 139343760
CID 139343760
CID 139343812
CID 139343812
CID 139357396
CID 139357396
CID 139357758
CID 139357758
CID 139358272
CID 139358272
CID 139358772
CID 139358772
CID 139358780
CID 139358780
CID 139358949
CID 139358949
CID 139358978
CID 139358978
CID 139359009
CID 139359009
CID 139359050
CID 139359050

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole (CID 139357771) is 2-[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 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[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(c5nccs5)C4)n3)cnc2cn1.
What is the InChIKey of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
The InChIKey is ZDPAIJXGMNWCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7S/c20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18-24-5-7-30-18/h3-5,7-9,11-12H,1-2,6,10H2.
What are the key properties of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
2-[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 2-[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 139357771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).