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

C19H17F2N7S — CID 139357758

IUPAC4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
SMILESFC(F)c1cn2c(-c3nccc(N4CCCC(c5cscn5)C4)n3)cnc2cn1
InChIInChI=1S/C19H17F2N7S/c20-18(21)13-9-28-15(6-24-17(28)7-23-13)19-22-4-3-16(26-19)27-5-1-2-12(8-27)14-10-29-11-25-14/h3-4,6-7,9-12,18H,1-2,5,8H2
InChIKeyXBHVYRBHXQODLZ-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.96
Rot. Bonds4

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

4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole (PubChem CID 139357758) has the molecular formula C19H17F2N7S and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
PubChem CID139357758
Molecular FormulaC19H17F2N7S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
SMILESFC(F)c1cn2c(-c3nccc(N4CCCC(c5cscn5)C4)n3)cnc2cn1
InChIInChI=1S/C19H17F2N7S/c20-18(21)13-9-28-15(6-24-17(28)7-23-13)19-22-4-3-16(26-19)27-5-1-2-12(8-27)14-10-29-11-25-14/h3-4,6-7,9-12,18H,1-2,5,8H2
InChIKeyXBHVYRBHXQODLZ-UHFFFAOYSA-N
XLogP3.96
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole (CID 139357758) is 4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole is FC(F)c1cn2c(-c3nccc(N4CCCC(c5cscn5)C4)n3)cnc2cn1.
What is the InChIKey of 4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
The InChIKey is XBHVYRBHXQODLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7S/c20-18(21)13-9-28-15(6-24-17(28)7-23-13)19-22-4-3-16(26-19)27-5-1-2-12(8-27)14-10-29-11-25-14/h3-4,6-7,9-12,18H,1-2,5,8H2.
What are the key properties of 4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole?
4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole has a molecular weight of 413.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 139357758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).