1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

C25H26BrN5O2 — CID 58967585

About 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 58967585) has the molecular formula C25H26BrN5O2 and a molecular weight of 508.42 g/mol. Its IUPAC name is 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 58967585
• Molecular Formula: C25H26BrN5O2
• Molecular Weight: 508.42 g/mol
• Exact Mass: 507.13
• IUPAC Name: 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCC(c3nc(-c4cccnc4)no3)CC2)c2c(Br)cccc12
• InChI: InChI=1S/C25H26BrN5O2/c1-17(32)21-16-31(23-20(21)6-2-7-22(23)26)12-4-11-30-13-8-18(9-14-30)25-28-24(29-33-25)19-5-3-10-27-15-19/h2-3,5-7,10,15-16,18H,4,8-9,11-14H2,1H3
• InChIKey: NUGVEILHUXMECU-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 77.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.42
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 58967585) is 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(c3nc(-c4cccnc4)no3)CC2)c2c(Br)cccc12.

What is the InChIKey of 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is NUGVEILHUXMECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN5O2/c1-17(32)21-16-31(23-20(21)6-2-7-22(23)26)12-4-11-30-13-8-18(9-14-30)25-28-24(29-33-25)19-5-3-10-27-15-19/h2-3,5-7,10,15-16,18H,4,8-9,11-14H2,1H3.

What are the key properties of 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 508.42 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 58967585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).