[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone

C22H21N5O2 — CID 126745391

About [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone

[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone (PubChem CID 126745391) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

• Compound Name: [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone
• PubChem CID: 126745391
• Molecular Formula: C22H21N5O2
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.17
• IUPAC Name: [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone
• SMILES: Cc1cnc(OC2CC3CC2N(C(=O)c2ccccc2-c2ncccn2)C3)cn1
• InChI: InChI=1S/C22H21N5O2/c1-14-11-26-20(12-25-14)29-19-10-15-9-18(19)27(13-15)22(28)17-6-3-2-5-16(17)21-23-7-4-8-24-21/h2-8,11-12,15,18-19H,9-10,13H2,1H3
• InChIKey: AICBIRXGWBZPCS-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 81.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone?

The IUPAC name of [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone (CID 126745391) is [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone.

What is the SMILES notation for [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone?

The canonical SMILES for [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone is Cc1cnc(OC2CC3CC2N(C(=O)c2ccccc2-c2ncccn2)C3)cn1.

What is the InChIKey of [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone?

The InChIKey is AICBIRXGWBZPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-11-26-20(12-25-14)29-19-10-15-9-18(19)27(13-15)22(28)17-6-3-2-5-16(17)21-23-7-4-8-24-21/h2-8,11-12,15,18-19H,9-10,13H2,1H3.

What are the key properties of [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone?

[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 387.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 126745391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).