3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C26H24F3N5O — CID 66829470

IUPAC3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1
InChIInChI=1S/C26H24F3N5O/c27-26(28,29)21-10-8-18(9-11-21)25-32-23(33-35-25)22(20-7-4-12-30-17-20)16-19-6-5-13-31-24(19)34-14-2-1-3-15-34/h4-13,17,22H,1-3,14-16H2
InChIKeySQPLUECUIUJDCB-UHFFFAOYSA-N
MW479.51 g/mol
LogP5.91
Rot. Bonds6

About 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 66829470) has the molecular formula C26H24F3N5O and a molecular weight of 479.51 g/mol. Its IUPAC name is 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID66829470
Molecular FormulaC26H24F3N5O
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1
InChIInChI=1S/C26H24F3N5O/c27-26(28,29)21-10-8-18(9-11-21)25-32-23(33-35-25)22(20-7-4-12-30-17-20)16-19-6-5-13-31-24(19)34-14-2-1-3-15-34/h4-13,17,22H,1-3,14-16H2
InChIKeySQPLUECUIUJDCB-UHFFFAOYSA-N
XLogP5.91
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 66829470) is 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1.
What is the InChIKey of 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is SQPLUECUIUJDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O/c27-26(28,29)21-10-8-18(9-11-21)25-32-23(33-35-25)22(20-7-4-12-30-17-20)16-19-6-5-13-31-24(19)34-14-2-1-3-15-34/h4-13,17,22H,1-3,14-16H2.
What are the key properties of 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 479.51 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 66829470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).