5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole

C24H24N6O — CID 133294642

IUPAC5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCCc1cc(N2CCC(c3nc(-c4ccccc4)no3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C24H24N6O/c1-2-20-16-21(27-22(26-20)18-8-12-25-13-9-18)30-14-10-19(11-15-30)24-28-23(29-31-24)17-6-4-3-5-7-17/h3-9,12-13,16,19H,2,10-11,14-15H2,1H3
InChIKeyOVFTZCACFPFWME-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.53
Rot. Bonds5

About 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 133294642) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID133294642
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCCc1cc(N2CCC(c3nc(-c4ccccc4)no3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C24H24N6O/c1-2-20-16-21(27-22(26-20)18-8-12-25-13-9-18)30-14-10-19(11-15-30)24-28-23(29-31-24)17-6-4-3-5-7-17/h3-9,12-13,16,19H,2,10-11,14-15H2,1H3
InChIKeyOVFTZCACFPFWME-UHFFFAOYSA-N
XLogP4.53
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
CID 72864679
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133294994
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 133327702
2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 70778356
[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 133314479
3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299396
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133308307
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849680

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 133294642) is 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole is CCc1cc(N2CCC(c3nc(-c4ccccc4)no3)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is OVFTZCACFPFWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-2-20-16-21(27-22(26-20)18-8-12-25-13-9-18)30-14-10-19(11-15-30)24-28-23(29-31-24)17-6-4-3-5-7-17/h3-9,12-13,16,19H,2,10-11,14-15H2,1H3.
What are the key properties of 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 412.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 133294642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).