7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C21H19F3N4O — CID 22268191

IUPAC7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCN2CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)17-5-3-15(4-6-17)2-1-11-27-12-13-28-19(29)14-18(26-20(27)28)16-7-9-25-10-8-16/h3-10,14H,1-2,11-13H2
InChIKeyIKLDWIWDCLOSLC-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.78
Rot. Bonds5

About 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 22268191) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID22268191
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCN2CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)17-5-3-15(4-6-17)2-1-11-27-12-13-28-19(29)14-18(26-20(27)28)16-7-9-25-10-8-16/h3-10,14H,1-2,11-13H2
InChIKeyIKLDWIWDCLOSLC-UHFFFAOYSA-N
XLogP3.78
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
2-[3-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11748865
2-[5-Aminopentyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595656
2-(2-Cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595681
2-[4-Aminobutyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595683
2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 25004925
7-Methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
CID 118631136
6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-1-methylpyridin-2(1H)-one
CID 54586366
2-[3-(2-Fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one;hydrochloride
CID 137634160
2-[3-(3-Fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one;hydrochloride
CID 137639853
3-Methyl-2-(3-phenylpiperazin-1-yl)-6-pyridin-4-ylpyrimidin-4-one;hydrochloride
CID 137657744

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 22268191) is 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is O=c1cc(-c2ccncc2)nc2n1CCN2CCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is IKLDWIWDCLOSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-21(23,24)17-5-3-15(4-6-17)2-1-11-27-12-13-28-19(29)14-18(26-20(27)28)16-7-9-25-10-8-16/h3-10,14H,1-2,11-13H2.
What are the key properties of 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 400.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 22268191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).