2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

C24H25FN4O3 — CID 124989078

About 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 124989078) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
• PubChem CID: 124989078
• Molecular Formula: C24H25FN4O3
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.19
• IUPAC Name: 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
• SMILES: Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1
• InChI: InChI=1S/C24H25FN4O3/c1-16-6-5-9-26-24(16)28-18-12-17(2)27-20(13-18)22-14-29(10-11-31-22)23(30)15-32-21-8-4-3-7-19(21)25/h3-9,12-13,22H,10-11,14-15H2,1-2H3,(H,26,27,28)/t22-/m1/s1
• InChIKey: ORTNNYNORHMLNI-JOCHJYFZSA-N
• XLogP: 3.96
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The IUPAC name of 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (CID 124989078) is 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.

What is the SMILES notation for 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The canonical SMILES for 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1.

What is the InChIKey of 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The InChIKey is ORTNNYNORHMLNI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-16-6-5-9-26-24(16)28-18-12-17(2)27-20(13-18)22-14-29(10-11-31-22)23(30)15-32-21-8-4-3-7-19(21)25/h3-9,12-13,22H,10-11,14-15H2,1-2H3,(H,26,27,28)/t22-/m1/s1.

What are the key properties of 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 436.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 124989078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).