1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone

C24H26N6O2 — CID 58968059

About 1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone

1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone (PubChem CID 58968059) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
• PubChem CID: 58968059
• Molecular Formula: C24H26N6O2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.21
• IUPAC Name: 1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCC(c3nc(-c4cccnc4)no3)CC2)c2ncccc12
• InChI: InChI=1S/C24H26N6O2/c1-17(31)21-16-30(23-20(21)6-3-10-26-23)12-4-11-29-13-7-18(8-14-29)24-27-22(28-32-24)19-5-2-9-25-15-19/h2-3,5-6,9-10,15-16,18H,4,7-8,11-14H2,1H3
• InChIKey: CQFSMNHXFHFHRD-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 89.94 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone (CID 58968059) is 1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone.

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

The canonical SMILES for 1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(c3nc(-c4cccnc4)no3)CC2)c2ncccc12.

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

The InChIKey is CQFSMNHXFHFHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17(31)21-16-30(23-20(21)6-3-10-26-23)12-4-11-29-13-7-18(8-14-29)24-27-22(28-32-24)19-5-2-9-25-15-19/h2-3,5-6,9-10,15-16,18H,4,7-8,11-14H2,1H3.

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

1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone has a molecular weight of 430.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 58968059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).