(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone

C28H32N6O2 — CID 60508114

About (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone

(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone (PubChem CID 60508114) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
• PubChem CID: 60508114
• Molecular Formula: C28H32N6O2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.26
• IUPAC Name: (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
• SMILES: Cc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc(C)n(-c5ccccn5)c4C)CC3)n2)cc1
• InChI: InChI=1S/C28H32N6O2/c1-20-9-11-23(12-10-20)27-30-26(36-31-27)8-6-14-32-15-17-33(18-16-32)28(35)24-19-21(2)34(22(24)3)25-7-4-5-13-29-25/h4-5,7,9-13,19H,6,8,14-18H2,1-3H3
• InChIKey: SKTADLDKZZCLMW-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?

The IUPAC name of (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone (CID 60508114) is (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone.

What is the SMILES notation for (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?

The canonical SMILES for (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone is Cc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc(C)n(-c5ccccn5)c4C)CC3)n2)cc1.

What is the InChIKey of (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?

The InChIKey is SKTADLDKZZCLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-20-9-11-23(12-10-20)27-30-26(36-31-27)8-6-14-32-15-17-33(18-16-32)28(35)24-19-21(2)34(22(24)3)25-7-4-5-13-29-25/h4-5,7,9-13,19H,6,8,14-18H2,1-3H3.

What are the key properties of (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?

(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone has a molecular weight of 484.60 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 60508114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).