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

C21H17F3N4O — CID 10222503

IUPAC7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n(CCCc3ccc(C(F)(F)F)cc3)ccn12
InChIInChI=1S/C21H17F3N4O/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/h3-10,12-14H,1-2,11H2
InChIKeyQHFBAVLBCGCOHL-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.21
Rot. Bonds5

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

7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 10222503) has the molecular formula C21H17F3N4O and a molecular weight of 398.39 g/mol. Its IUPAC name is 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one
PubChem CID10222503
Molecular FormulaC21H17F3N4O
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n(CCCc3ccc(C(F)(F)F)cc3)ccn12
InChIInChI=1S/C21H17F3N4O/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/h3-10,12-14H,1-2,11H2
InChIKeyQHFBAVLBCGCOHL-UHFFFAOYSA-N
XLogP4.21
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 22268191
1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 10291420
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048099
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048092
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 135484464
N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 86266238
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90588192
2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 10132429
2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetaldehyde
CID 130182467
3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one
CID 154632910

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one (CID 10222503) is 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one is O=c1cc(-c2ccncc2)nc2n(CCCc3ccc(C(F)(F)F)cc3)ccn12.
What is the InChIKey of 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is QHFBAVLBCGCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O/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/h3-10,12-14H,1-2,11H2.
What are the key properties of 7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one?
7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 398.39 g/mol, XLogP of 4.21, 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]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 10222503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).