1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C21H20N6O3 — CID 46232562

About 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 46232562) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 46232562
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: O=C(Cc1nnc(-c2ccccc2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
• InChI: InChI=1S/C21H20N6O3/c28-18(13-17-24-25-20(30-17)14-5-2-1-3-6-14)26-11-8-15(9-12-26)27-16-7-4-10-22-19(16)23-21(27)29/h1-7,10,15H,8-9,11-13H2,(H,22,23,29)
• InChIKey: HLEYPQKKVRQMGS-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 109.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 46232562) is 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=C(Cc1nnc(-c2ccccc2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.

What is the InChIKey of 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is HLEYPQKKVRQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-18(13-17-24-25-20(30-17)14-5-2-1-3-6-14)26-11-8-15(9-12-26)27-16-7-4-10-22-19(16)23-21(27)29/h1-7,10,15H,8-9,11-13H2,(H,22,23,29).

What are the key properties of 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 404.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 46232562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).