[3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C21H23N7O2 — CID 118940607

About [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

[3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 118940607) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• PubChem CID: 118940607
• Molecular Formula: C21H23N7O2
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.19
• IUPAC Name: [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• SMILES: Cc1cnc(C(=O)N2C(C)C3CC(Oc4cnc(C)cn4)C2C3)c(-n2nccn2)c1
• InChI: InChI=1S/C21H23N7O2/c1-12-6-17(28-25-4-5-26-28)20(24-9-12)21(29)27-14(3)15-7-16(27)18(8-15)30-19-11-22-13(2)10-23-19/h4-6,9-11,14-16,18H,7-8H2,1-3H3
• InChIKey: UELHFTDYJCYAGV-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 98.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The IUPAC name of [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 118940607) is [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

What is the SMILES notation for [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The canonical SMILES for [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1cnc(C(=O)N2C(C)C3CC(Oc4cnc(C)cn4)C2C3)c(-n2nccn2)c1.

What is the InChIKey of [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The InChIKey is UELHFTDYJCYAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-12-6-17(28-25-4-5-26-28)20(24-9-12)21(29)27-14(3)15-7-16(27)18(8-15)30-19-11-22-13(2)10-23-19/h4-6,9-11,14-16,18H,7-8H2,1-3H3.

What are the key properties of [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

[3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 405.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 118940607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).