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

C21H19ClN6O3 — CID 46232564

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

1-[1-[2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 46232564) has the molecular formula C21H19ClN6O3 and a molecular weight of 438.88 g/mol. Its IUPAC name is 1-[1-[2-[5-(3-chlorophenyl)-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-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 46232564
• Molecular Formula: C21H19ClN6O3
• Molecular Weight: 438.88 g/mol
• Exact Mass: 438.12
• IUPAC Name: 1-[1-[2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: O=C(Cc1nnc(-c2cccc(Cl)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
• InChI: InChI=1S/C21H19ClN6O3/c22-14-4-1-3-13(11-14)20-26-25-17(31-20)12-18(29)27-9-6-15(7-10-27)28-16-5-2-8-23-19(16)24-21(28)30/h1-5,8,11,15H,6-7,9-10,12H2,(H,23,24,30)
• InChIKey: POMYLLNSOVUYIH-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 109.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.88
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-(3-chlorophenyl)-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-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 46232564) is 1-[1-[2-[5-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=C(Cc1nnc(-c2cccc(Cl)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.

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

The InChIKey is POMYLLNSOVUYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O3/c22-14-4-1-3-13(11-14)20-26-25-17(31-20)12-18(29)27-9-6-15(7-10-27)28-16-5-2-8-23-19(16)24-21(28)30/h1-5,8,11,15H,6-7,9-10,12H2,(H,23,24,30).

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

1-[1-[2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 438.88 g/mol, XLogP of 2.83, 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-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 46232564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).