4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

C24H26N6O2 — CID 75130983

About 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 75130983) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
• PubChem CID: 75130983
• Molecular Formula: C24H26N6O2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.21
• IUPAC Name: 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
• SMILES: c1ccc2c(CN3CCCC3c3nc(-c4ccnc(N5CCOCC5)c4)no3)c[nH]c2c1
• InChI: InChI=1S/C24H26N6O2/c1-2-5-20-19(4-1)18(15-26-20)16-30-9-3-6-21(30)24-27-23(28-32-24)17-7-8-25-22(14-17)29-10-12-31-13-11-29/h1-2,4-5,7-8,14-15,21,26H,3,6,9-13,16H2
• InChIKey: KIIFIRZZVMMQOQ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 83.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?

The IUPAC name of 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (CID 75130983) is 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.

What is the SMILES notation for 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?

The canonical SMILES for 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is c1ccc2c(CN3CCCC3c3nc(-c4ccnc(N5CCOCC5)c4)no3)c[nH]c2c1.

What is the InChIKey of 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?

The InChIKey is KIIFIRZZVMMQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-2-5-20-19(4-1)18(15-26-20)16-30-9-3-6-21(30)24-27-23(28-32-24)17-7-8-25-22(14-17)29-10-12-31-13-11-29/h1-2,4-5,7-8,14-15,21,26H,3,6,9-13,16H2.

What are the key properties of 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?

4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 430.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 75130983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).