[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone

C24H23FN4O2 — CID 90412111

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone (PubChem CID 90412111) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

• Compound Name: [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone
• PubChem CID: 90412111
• Molecular Formula: C24H23FN4O2
• Molecular Weight: 418.47 g/mol
• Exact Mass: 418.18
• IUPAC Name: [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone
• SMILES: Cc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2
• InChI: InChI=1S/C24H23FN4O2/c1-15-4-2-5-19(23-26-10-3-11-27-23)22(15)24(30)29-18-7-8-20(29)16(12-18)14-31-21-9-6-17(25)13-28-21/h2-6,9-11,13,16,18,20H,7-8,12,14H2,1H3
• InChIKey: RWBCSTYSWNPGRW-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 68.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.47
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone?

The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone (CID 90412111) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone.

What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone?

The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone is Cc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2.

What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone?

The InChIKey is RWBCSTYSWNPGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-15-4-2-5-19(23-26-10-3-11-27-23)22(15)24(30)29-18-7-8-20(29)16(12-18)14-31-21-9-6-17(25)13-28-21/h2-6,9-11,13,16,18,20H,7-8,12,14H2,1H3.

What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone?

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone has a molecular weight of 418.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methyl-6-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 90412111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).