6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C19H19F3N6O2 — CID 126942652

IUPAC6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)18-26-25-16(30-18)11-27-7-3-13(4-8-27)10-28-12-24-15(9-17(28)29)14-1-5-23-6-2-14/h1-2,5-6,9,12-13H,3-4,7-8,10-11H2
InChIKeyKDLFGFRJWCWBCO-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.62
Rot. Bonds5

About 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126942652) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126942652
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)18-26-25-16(30-18)11-27-7-3-13(4-8-27)10-28-12-24-15(9-17(28)29)14-1-5-23-6-2-14/h1-2,5-6,9,12-13H,3-4,7-8,10-11H2
InChIKeyKDLFGFRJWCWBCO-UHFFFAOYSA-N
XLogP2.62
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-tert-butyl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944433
3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942699
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942600
6-pyridin-4-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942634
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942798
3-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942888
6-pyridin-4-yl-3-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942667
6-pyridin-4-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942838
3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942845
6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942741
3-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942655
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942767

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126942652) is 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(-c2ccncc2)ncn1CC1CCN(Cc2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is KDLFGFRJWCWBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c20-19(21,22)18-26-25-16(30-18)11-27-7-3-13(4-8-27)10-28-12-24-15(9-17(28)29)14-1-5-23-6-2-14/h1-2,5-6,9,12-13H,3-4,7-8,10-11H2.
What are the key properties of 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 420.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126942652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).