3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile

C25H24N6O2 — CID 56526987

IUPAC3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile
SMILESN#CCCn1cc(C(=O)CN2CCC(c3nc(-c4ccccn4)no3)CC2)c2ccccc21
InChIInChI=1S/C25H24N6O2/c26-11-5-13-31-16-20(19-6-1-2-8-22(19)31)23(32)17-30-14-9-18(10-15-30)25-28-24(29-33-25)21-7-3-4-12-27-21/h1-4,6-8,12,16,18H,5,9-10,13-15,17H2
InChIKeyBUVVLOYJIOCQKN-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.06
Rot. Bonds7

About 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile

3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile (PubChem CID 56526987) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile
PubChem CID56526987
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile
SMILESN#CCCn1cc(C(=O)CN2CCC(c3nc(-c4ccccn4)no3)CC2)c2ccccc21
InChIInChI=1S/C25H24N6O2/c26-11-5-13-31-16-20(19-6-1-2-8-22(19)31)23(32)17-30-14-9-18(10-15-30)25-28-24(29-33-25)21-7-3-4-12-27-21/h1-4,6-8,12,16,18H,5,9-10,13-15,17H2
InChIKeyBUVVLOYJIOCQKN-UHFFFAOYSA-N
XLogP4.06
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile 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-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile?
The IUPAC name of 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile (CID 56526987) is 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile is N#CCCn1cc(C(=O)CN2CCC(c3nc(-c4ccccn4)no3)CC2)c2ccccc21.
What is the InChIKey of 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile?
The InChIKey is BUVVLOYJIOCQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c26-11-5-13-31-16-20(19-6-1-2-8-22(19)31)23(32)17-30-14-9-18(10-15-30)25-28-24(29-33-25)21-7-3-4-12-27-21/h1-4,6-8,12,16,18H,5,9-10,13-15,17H2.
What are the key properties of 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile?
3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile has a molecular weight of 440.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile is sourced from PubChem (CID 56526987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).