3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole

C20H25N7O2 — CID 44628381

IUPAC3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)Oc3cnc(-c4ccnnc4)cn3)CC2)n1
InChIInChI=1S/C20H25N7O2/c1-13(2)19-25-20(29-26-19)27-8-5-15(6-9-27)14(3)28-18-12-21-17(11-22-18)16-4-7-23-24-10-16/h4,7,10-15H,5-6,8-9H2,1-3H3/t14-/m0/s1
InChIKeyQRQHUFXEWCRPCC-AWEZNQCLSA-N
MW395.47 g/mol
LogP3.12
Rot. Bonds6

About 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole

3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 44628381) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID44628381
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)Oc3cnc(-c4ccnnc4)cn3)CC2)n1
InChIInChI=1S/C20H25N7O2/c1-13(2)19-25-20(29-26-19)27-8-5-15(6-9-27)14(3)28-18-12-21-17(11-22-18)16-4-7-23-24-10-16/h4,7,10-15H,5-6,8-9H2,1-3H3/t14-/m0/s1
InChIKeyQRQHUFXEWCRPCC-AWEZNQCLSA-N
XLogP3.12
TPSA102.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole (CID 44628381) is 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole is CC(C)c1noc(N2CCC([C@H](C)Oc3cnc(-c4ccnnc4)cn3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is QRQHUFXEWCRPCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-13(2)19-25-20(29-26-19)27-8-5-15(6-9-27)14(3)28-18-12-21-17(11-22-18)16-4-7-23-24-10-16/h4,7,10-15H,5-6,8-9H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 395.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 44628381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).