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

C21H24F3N7O — CID 139358612

IUPAC4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC(CN5CCOCC5)CC4)n3)cnc2cn1
InChIInChI=1S/C21H24F3N7O/c22-21(23,24)17-14-31-16(11-27-19(31)12-26-17)20-25-4-1-18(28-20)30-5-2-15(3-6-30)13-29-7-9-32-10-8-29/h1,4,11-12,14-15H,2-3,5-10,13H2
InChIKeyDJAYMZATYJIOSE-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.75
Rot. Bonds4

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

4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine (PubChem CID 139358612) has the molecular formula C21H24F3N7O and a molecular weight of 447.47 g/mol. Its IUPAC name is 4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine
PubChem CID139358612
Molecular FormulaC21H24F3N7O
Molecular Weight447.47 g/mol
Exact Mass447.20
IUPAC Name4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC(CN5CCOCC5)CC4)n3)cnc2cn1
InChIInChI=1S/C21H24F3N7O/c22-21(23,24)17-14-31-16(11-27-19(31)12-26-17)20-25-4-1-18(28-20)30-5-2-15(3-6-30)13-29-7-9-32-10-8-29/h1,4,11-12,14-15H,2-3,5-10,13H2
InChIKeyDJAYMZATYJIOSE-UHFFFAOYSA-N
XLogP2.75
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.75
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-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine (CID 139358612) is 4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine is FC(F)(F)c1cn2c(-c3nccc(N4CCC(CN5CCOCC5)CC4)n3)cnc2cn1.
What is the InChIKey of 4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine?
The InChIKey is DJAYMZATYJIOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O/c22-21(23,24)17-14-31-16(11-27-19(31)12-26-17)20-25-4-1-18(28-20)30-5-2-15(3-6-30)13-29-7-9-32-10-8-29/h1,4,11-12,14-15H,2-3,5-10,13H2.
What are the key properties of 4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine?
4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine has a molecular weight of 447.47 g/mol, XLogP of 2.75, 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-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 139358612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).