2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine

C20H23F3N8O — CID 172903852

IUPAC2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1cn2ccnc(N3CCCC(Nc4ccnc(N5CCOCC5)n4)C3)c2n1
InChIInChI=1S/C20H23F3N8O/c21-20(22,23)15-13-31-7-5-24-17(18(31)27-15)30-6-1-2-14(12-30)26-16-3-4-25-19(28-16)29-8-10-32-11-9-29/h3-5,7,13-14H,1-2,6,8-12H2,(H,25,26,28)
InChIKeyUSWUSAMDIYBXMU-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.46
Rot. Bonds4

About 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine

2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 172903852) has the molecular formula C20H23F3N8O and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID172903852
Molecular FormulaC20H23F3N8O
Molecular Weight448.45 g/mol
Exact Mass448.19
IUPAC Name2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1cn2ccnc(N3CCCC(Nc4ccnc(N5CCOCC5)n4)C3)c2n1
InChIInChI=1S/C20H23F3N8O/c21-20(22,23)15-13-31-7-5-24-17(18(31)27-15)30-6-1-2-14(12-30)26-16-3-4-25-19(28-16)29-8-10-32-11-9-29/h3-5,7,13-14H,1-2,6,8-12H2,(H,25,26,28)
InChIKeyUSWUSAMDIYBXMU-UHFFFAOYSA-N
XLogP2.46
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine (CID 172903852) is 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine is FC(F)(F)c1cn2ccnc(N3CCCC(Nc4ccnc(N5CCOCC5)n4)C3)c2n1.
What is the InChIKey of 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is USWUSAMDIYBXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O/c21-20(22,23)15-13-31-7-5-24-17(18(31)27-15)30-6-1-2-14(12-30)26-16-3-4-25-19(28-16)29-8-10-32-11-9-29/h3-5,7,13-14H,1-2,6,8-12H2,(H,25,26,28).
What are the key properties of 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine?
2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 448.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172903852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).