[7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone

C26H25ClN6O — CID 71553570

About [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone

[7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone (PubChem CID 71553570) has the molecular formula C26H25ClN6O and a molecular weight of 472.98 g/mol. Its IUPAC name is [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

• Compound Name: [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
• PubChem CID: 71553570
• Molecular Formula: C26H25ClN6O
• Molecular Weight: 472.98 g/mol
• Exact Mass: 472.18
• IUPAC Name: [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
• SMILES: Cc1ccc(-n2cccn2)c(C(=O)N2CC3CC(C2)CN(c2cnc4cc(Cl)ccc4n2)C3)c1
• InChI: InChI=1S/C26H25ClN6O/c1-17-3-6-24(33-8-2-7-29-33)21(9-17)26(34)32-15-18-10-19(16-32)14-31(13-18)25-12-28-23-11-20(27)4-5-22(23)30-25/h2-9,11-12,18-19H,10,13-16H2,1H3
• InChIKey: NHWQJKFZLJACDI-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.98
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone?

The IUPAC name of [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone (CID 71553570) is [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone.

What is the SMILES notation for [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone?

The canonical SMILES for [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone is Cc1ccc(-n2cccn2)c(C(=O)N2CC3CC(C2)CN(c2cnc4cc(Cl)ccc4n2)C3)c1.

What is the InChIKey of [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone?

The InChIKey is NHWQJKFZLJACDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O/c1-17-3-6-24(33-8-2-7-29-33)21(9-17)26(34)32-15-18-10-19(16-32)14-31(13-18)25-12-28-23-11-20(27)4-5-22(23)30-25/h2-9,11-12,18-19H,10,13-16H2,1H3.

What are the key properties of [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone?

[7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone has a molecular weight of 472.98 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(6-chloroquinoxalin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 71553570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).