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

C20H21BrN6O2 — CID 146514112

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

[6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2,3-dihydropyridin-2-yl]methanone (PubChem CID 146514112) has the molecular formula C20H21BrN6O2 and a molecular weight of 457.33 g/mol. Its IUPAC name is [6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2,3-dihydropyridin-2-yl]methanone.

Molecular Properties

• Compound Name: [6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2,3-dihydropyridin-2-yl]methanone
• PubChem CID: 146514112
• Molecular Formula: C20H21BrN6O2
• Molecular Weight: 457.33 g/mol
• Exact Mass: 456.09
• IUPAC Name: [6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2,3-dihydropyridin-2-yl]methanone
• SMILES: CC1=NC(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)C(n2nccn2)C=C1
• InChI: InChI=1S/C20H21BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,15-17,19H,8-9,11H2,1H3
• InChIKey: ASHQQAZHQCWUCC-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 85.50 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.33
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2,3-dihydropyridin-2-yl]methanone (CID 146514112) is [6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2,3-dihydropyridin-2-yl]methanone.

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

The canonical SMILES for [6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2,3-dihydropyridin-2-yl]methanone is CC1=NC(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)C(n2nccn2)C=C1.

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

The InChIKey is ASHQQAZHQCWUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,15-17,19H,8-9,11H2,1H3.

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

[6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2,3-dihydropyridin-2-yl]methanone has a molecular weight of 457.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2,3-dihydropyridin-2-yl]methanone is sourced from PubChem (CID 146514112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).