4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one

C25H27FN4O2 — CID 125014289

About 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one

4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one (PubChem CID 125014289) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one
• PubChem CID: 125014289
• Molecular Formula: C25H27FN4O2
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.21
• IUPAC Name: 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one
• SMILES: Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)CCCc3ccc(F)cc3)CCO2)n1
• InChI: InChI=1S/C25H27FN4O2/c1-18-15-21(29-24-6-2-3-12-27-24)16-22(28-18)23-17-30(13-14-32-23)25(31)7-4-5-19-8-10-20(26)11-9-19/h2-3,6,8-12,15-16,23H,4-5,7,13-14,17H2,1H3,(H,27,28,29)/t23-/m0/s1
• InChIKey: WLGRDHZROIQABW-QHCPKHFHSA-N
• XLogP: 4.59
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one?

The IUPAC name of 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one (CID 125014289) is 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one.

What is the SMILES notation for 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one?

The canonical SMILES for 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one is Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)CCCc3ccc(F)cc3)CCO2)n1.

What is the InChIKey of 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one?

The InChIKey is WLGRDHZROIQABW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-18-15-21(29-24-6-2-3-12-27-24)16-22(28-18)23-17-30(13-14-32-23)25(31)7-4-5-19-8-10-20(26)11-9-19/h2-3,6,8-12,15-16,23H,4-5,7,13-14,17H2,1H3,(H,27,28,29)/t23-/m0/s1.

What are the key properties of 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one?

4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one has a molecular weight of 434.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one is sourced from PubChem (CID 125014289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).