3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane

C24H33N5 — CID 145049285

About 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane

3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane (PubChem CID 145049285) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane.

Molecular Properties

• Compound Name: 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane
• PubChem CID: 145049285
• Molecular Formula: C24H33N5
• Molecular Weight: 391.56 g/mol
• Exact Mass: 391.27
• IUPAC Name: 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane
• SMILES: C.CCC.Cc1ccc(C)n1-c1cccc(-c2cnc(N3CC4CC4C3)cn2)n1
• InChI: InChI=1S/C20H21N5.C3H8.CH4/c1-13-6-7-14(2)25(13)19-5-3-4-17(23-19)18-9-22-20(10-21-18)24-11-15-8-16(15)12-24;1-3-2;/h3-7,9-10,15-16H,8,11-12H2,1-2H3;3H2,1-2H3;1H4
• InChIKey: ROCHEWVOUSKSIO-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.56
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane?

The IUPAC name of 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane (CID 145049285) is 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane.

What is the SMILES notation for 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane?

The canonical SMILES for 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane is C.CCC.Cc1ccc(C)n1-c1cccc(-c2cnc(N3CC4CC4C3)cn2)n1.

What is the InChIKey of 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane?

The InChIKey is ROCHEWVOUSKSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5.C3H8.CH4/c1-13-6-7-14(2)25(13)19-5-3-4-17(23-19)18-9-22-20(10-21-18)24-11-15-8-16(15)12-24;1-3-2;/h3-7,9-10,15-16H,8,11-12H2,1-2H3;3H2,1-2H3;1H4.

What are the key properties of 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane?

3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane has a molecular weight of 391.56 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane is sourced from PubChem (CID 145049285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).