6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile

C24H27N5O2 — CID 146218833

About 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 146218833) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
• PubChem CID: 146218833
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
• SMILES: N#Cc1ccc(N2CCN(C(=O)CC3CCC(C4NCc5ccccc54)O3)CC2)nc1
• InChI: InChI=1S/C24H27N5O2/c25-14-17-5-8-22(26-15-17)28-9-11-29(12-10-28)23(30)13-19-6-7-21(31-19)24-20-4-2-1-3-18(20)16-27-24/h1-5,8,15,19,21,24,27H,6-7,9-13,16H2
• InChIKey: GUFNNCSMDOESOK-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 81.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile?

The IUPAC name of 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 146218833) is 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)CC3CCC(C4NCc5ccccc54)O3)CC2)nc1.

What is the InChIKey of 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile?

The InChIKey is GUFNNCSMDOESOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c25-14-17-5-8-22(26-15-17)28-9-11-29(12-10-28)23(30)13-19-6-7-21(31-19)24-20-4-2-1-3-18(20)16-27-24/h1-5,8,15,19,21,24,27H,6-7,9-13,16H2.

What are the key properties of 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile?

6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 417.51 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[5-(2,3-dihydro-1H-isoindol-1-yl)oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 146218833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).