2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone

C15H17F3N4O2 — CID 95828309

IUPAC2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1
InChIInChI=1S/C15H17F3N4O2/c1-24-9-13(23)21-5-2-10(3-6-21)11-8-12(15(16,17)18)22-7-4-19-14(22)20-11/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyROWVNRHORFCMPE-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.10
Rot. Bonds3

About 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone (PubChem CID 95828309) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
PubChem CID95828309
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1
InChIInChI=1S/C15H17F3N4O2/c1-24-9-13(23)21-5-2-10(3-6-21)11-8-12(15(16,17)18)22-7-4-19-14(22)20-11/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyROWVNRHORFCMPE-UHFFFAOYSA-N
XLogP2.10
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone (CID 95828309) is 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone?
The InChIKey is ROWVNRHORFCMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-24-9-13(23)21-5-2-10(3-6-21)11-8-12(15(16,17)18)22-7-4-19-14(22)20-11/h4,7-8,10H,2-3,5-6,9H2,1H3.
What are the key properties of 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone has a molecular weight of 342.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95828309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).