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

C14H15F3N4O — CID 95828270

IUPAC1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C(F)(F)F)nc3nccn23)CC1
InChIInChI=1S/C14H15F3N4O/c1-9(22)20-5-2-10(3-6-20)11-8-12(14(15,16)17)19-13-18-4-7-21(11)13/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyUHTPKADJVQQKLH-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.47
Rot. Bonds1

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

1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone (PubChem CID 95828270) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone
PubChem CID95828270
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C(F)(F)F)nc3nccn23)CC1
InChIInChI=1S/C14H15F3N4O/c1-9(22)20-5-2-10(3-6-20)11-8-12(14(15,16)17)19-13-18-4-7-21(11)13/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyUHTPKADJVQQKLH-UHFFFAOYSA-N
XLogP2.47
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone (CID 95828270) is 1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(C(F)(F)F)nc3nccn23)CC1.
What is the InChIKey of 1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is UHTPKADJVQQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-9(22)20-5-2-10(3-6-20)11-8-12(14(15,16)17)19-13-18-4-7-21(11)13/h4,7-8,10H,2-3,5-6H2,1H3.
What are the key properties of 1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone?
1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 312.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95828270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).