(4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C23H24F3N7O2 — CID 154960836

About (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

(4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154960836) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• PubChem CID: 154960836
• Molecular Formula: C23H24F3N7O2
• Molecular Weight: 487.49 g/mol
• Exact Mass: 487.19
• IUPAC Name: (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• SMILES: CC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cc(C)c(-c3ccnc(C(F)(F)F)c3)cn2)n1
• InChI: InChI=1S/C23H24F3N7O2/c1-5-16-11-35-22(34)33(16)21-31-14(4)30-20(32-21)29-13(3)18-8-12(2)17(10-28-18)15-6-7-27-19(9-15)23(24,25)26/h6-10,13,16H,5,11H2,1-4H3,(H,29,30,31,32)/t13?,16-/m0/s1
• InChIKey: QYPVYOPBFONRME-VYIIXAMBSA-N
• XLogP: 4.87
• TPSA: 106.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.49
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154960836) is (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cc(C)c(-c3ccnc(C(F)(F)F)c3)cn2)n1.

What is the InChIKey of (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The InChIKey is QYPVYOPBFONRME-VYIIXAMBSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-5-16-11-35-22(34)33(16)21-31-14(4)30-20(32-21)29-13(3)18-8-12(2)17(10-28-18)15-6-7-27-19(9-15)23(24,25)26/h6-10,13,16H,5,11H2,1-4H3,(H,29,30,31,32)/t13?,16-/m0/s1.

What are the key properties of (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

(4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 487.49 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).