3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C24H28F2N6O3 — CID 129287763

About 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 129287763) has the molecular formula C24H28F2N6O3 and a molecular weight of 486.52 g/mol. Its IUPAC name is 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 129287763
• Molecular Formula: C24H28F2N6O3
• Molecular Weight: 486.52 g/mol
• Exact Mass: 486.22
• IUPAC Name: 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1ncc(F)c(N2C(=O)OCC2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2cn[nH]c2)cc1F
• InChI: InChI=1S/C24H28F2N6O3/c1-13(17-7-6-15(8-18(17)25)16-9-28-29-10-16)30-22-27-11-19(26)21(31-22)32-20(12-34-23(32)33)14(2)35-24(3,4)5/h6-11,13-14,20H,12H2,1-5H3,(H,28,29)(H,27,30,31)/t13-,14+,20?/m0/s1
• InChIKey: GNUCRABZPLQMGZ-IODPJOFQSA-N
• XLogP: 4.85
• TPSA: 105.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.52
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 129287763) is 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is C[C@H](Nc1ncc(F)c(N2C(=O)OCC2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2cn[nH]c2)cc1F.

What is the InChIKey of 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is GNUCRABZPLQMGZ-IODPJOFQSA-N. The full InChI is InChI=1S/C24H28F2N6O3/c1-13(17-7-6-15(8-18(17)25)16-9-28-29-10-16)30-22-27-11-19(26)21(31-22)32-20(12-34-23(32)33)14(2)35-24(3,4)5/h6-11,13-14,20H,12H2,1-5H3,(H,28,29)(H,27,30,31)/t13-,14+,20?/m0/s1.

What are the key properties of 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 486.52 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129287763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).