imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone

C14H8F3N3O — CID 122551082

IUPACimidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)c1ncc2ncccn12
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)10-5-2-1-4-9(10)12(21)13-19-8-11-18-6-3-7-20(11)13/h1-8H
InChIKeyKWKPUDRYZXGABG-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.98
Rot. Bonds2

About imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone

imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 122551082) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Nameimidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID122551082
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Nameimidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)c1ncc2ncccn12
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)10-5-2-1-4-9(10)12(21)13-19-8-11-18-6-3-7-20(11)13/h1-8H
InChIKeyKWKPUDRYZXGABG-UHFFFAOYSA-N
XLogP2.98
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 712408
(3-Fluoro-2-(trifluoromethyl)phenyl)(1-(morpholinomethyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 54585060
Naphth(2',3':4,5)imidazo(1,2-a)pyridine-6,11-dione
CID 1530613
Aminoimidazo[1,2-a]pyridine deriv. 14
CID 5330614
Aminoimidazo[1,2-a]pyridine deriv. 25
CID 5330625
(2-Methylimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone
CID 2998403
Aminoimidazo[1,2-a]pyridine deriv. 6
CID 5330628
Aminoimidazo[1,2-a]pyridine deriv. 8
CID 5330630
Aminoimidazo[1,2-a]pyridine deriv. 9
CID 5330631
4-(4-imidazol-1-ylpyrimidin-2-yl)-N,N-dimethylbenzamide
CID 3234989
(E)-3-(4-fluorophenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-propen-1-one
CID 5915318

Frequently Asked Questions

What is the IUPAC name of imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone (CID 122551082) is imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)c1ncc2ncccn12.
What is the InChIKey of imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is KWKPUDRYZXGABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-14(16,17)10-5-2-1-4-9(10)12(21)13-19-8-11-18-6-3-7-20(11)13/h1-8H.
What are the key properties of imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone?
imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 291.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-a]pyrimidin-6-yl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 122551082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).