2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid

C21H26N6O3 — CID 174721693

About 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid

2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid (PubChem CID 174721693) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid
• PubChem CID: 174721693
• Molecular Formula: C21H26N6O3
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.21
• IUPAC Name: 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid
• SMILES: CCc1nn(-c2noc(C3CN(C4CCN(CC(=O)O)CC4)C3)n2)c2ccccc12
• InChI: InChI=1S/C21H26N6O3/c1-2-17-16-5-3-4-6-18(16)27(23-17)21-22-20(30-24-21)14-11-26(12-14)15-7-9-25(10-8-15)13-19(28)29/h3-6,14-15H,2,7-13H2,1H3,(H,28,29)
• InChIKey: KKKIPWGTDPPHMW-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 100.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid?

The IUPAC name of 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid (CID 174721693) is 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid.

What is the SMILES notation for 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid?

The canonical SMILES for 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid is CCc1nn(-c2noc(C3CN(C4CCN(CC(=O)O)CC4)C3)n2)c2ccccc12.

What is the InChIKey of 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid?

The InChIKey is KKKIPWGTDPPHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-2-17-16-5-3-4-6-18(16)27(23-17)21-22-20(30-24-21)14-11-26(12-14)15-7-9-25(10-8-15)13-19(28)29/h3-6,14-15H,2,7-13H2,1H3,(H,28,29).

What are the key properties of 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid?

2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid has a molecular weight of 410.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 174721693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).