3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one

C25H32F4N6O3 — CID 90415197

About 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one

3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 90415197) has the molecular formula C25H32F4N6O3 and a molecular weight of 540.56 g/mol. Its IUPAC name is 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one
• PubChem CID: 90415197
• Molecular Formula: C25H32F4N6O3
• Molecular Weight: 540.56 g/mol
• Exact Mass: 540.25
• IUPAC Name: 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](O)C1COC(=O)N1c1nc(N[C@@H](C)C2CCN(c3ccnc(C(C)(C)C(F)(F)F)c3)CC2)ncc1F
• InChI: InChI=1S/C25H32F4N6O3/c1-14(32-22-31-12-18(26)21(33-22)35-19(15(2)36)13-38-23(35)37)16-6-9-34(10-7-16)17-5-8-30-20(11-17)24(3,4)25(27,28)29/h5,8,11-12,14-16,19,36H,6-7,9-10,13H2,1-4H3,(H,31,32,33)/t14-,15-,19?/m0/s1
• InChIKey: NKYVOLFSPYUGCF-YIYRCGFGSA-N
• XLogP: 4.27
• TPSA: 103.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.56
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 90415197) is 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one is C[C@H](O)C1COC(=O)N1c1nc(N[C@@H](C)C2CCN(c3ccnc(C(C)(C)C(F)(F)F)c3)CC2)ncc1F.

What is the InChIKey of 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one?

The InChIKey is NKYVOLFSPYUGCF-YIYRCGFGSA-N. The full InChI is InChI=1S/C25H32F4N6O3/c1-14(32-22-31-12-18(26)21(33-22)35-19(15(2)36)13-38-23(35)37)16-6-9-34(10-7-16)17-5-8-30-20(11-17)24(3,4)25(27,28)29/h5,8,11-12,14-16,19,36H,6-7,9-10,13H2,1-4H3,(H,31,32,33)/t14-,15-,19?/m0/s1.

What are the key properties of 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one?

3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 540.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-2-[[(1S)-1-[1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90415197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).