3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one

C20H16F2N6O2 — CID 178112204

IUPAC3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one
SMILESCc1cnccc1-c1cnc(C)n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c1=O
InChIInChI=1S/C20H16F2N6O2/c1-11-7-23-6-5-15(11)16-9-24-12(2)28(20(16)29)10-14-4-3-13(8-25-14)18-26-27-19(30-18)17(21)22/h3-9,17H,10H2,1-2H3
InChIKeySSQMFWXUDXMOQW-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.35
Rot. Bonds5

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one (PubChem CID 178112204) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one
PubChem CID178112204
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one
SMILESCc1cnccc1-c1cnc(C)n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c1=O
InChIInChI=1S/C20H16F2N6O2/c1-11-7-23-6-5-15(11)16-9-24-12(2)28(20(16)29)10-14-4-3-13(8-25-14)18-26-27-19(30-18)17(21)22/h3-9,17H,10H2,1-2H3
InChIKeySSQMFWXUDXMOQW-UHFFFAOYSA-N
XLogP3.35
TPSA99.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-7-pyridin-4-ylquinazoline-2,4-dione
CID 155730212
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-ethenyl-2-phenylpyrimidin-4-one
CID 178112189
2-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-oxo-2-phenylpyrimidin-5-yl]propanoic acid
CID 178112061
7-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methylquinazoline-2,4-dione
CID 155365671
2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162767597
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione
CID 155365514
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(2-methylpyrazol-3-yl)benzimidazol-2-one
CID 155729705
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-7-(furan-2-yl)-1-methylquinazoline-2,4-dione
CID 155730255
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one
CID 167419709
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one
CID 175214899

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one?
The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one (CID 178112204) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one?
The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one is Cc1cnccc1-c1cnc(C)n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c1=O.
What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one?
The InChIKey is SSQMFWXUDXMOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-11-7-23-6-5-15(11)16-9-24-12(2)28(20(16)29)10-14-4-3-13(8-25-14)18-26-27-19(30-18)17(21)22/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one?
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one has a molecular weight of 410.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one is sourced from PubChem (CID 178112204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).