(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C26H29F3N6O3 — CID 90414317

About (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90414317) has the molecular formula C26H29F3N6O3 and a molecular weight of 530.55 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 90414317
• Molecular Formula: C26H29F3N6O3
• Molecular Weight: 530.55 g/mol
• Exact Mass: 530.23
• IUPAC Name: (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2cccc(C(F)(F)F)n2)cn1
• InChI: InChI=1S/C26H29F3N6O3/c1-15(18-10-9-17(13-31-18)19-7-6-8-21(33-19)26(27,28)29)32-23-30-12-11-22(34-23)35-20(14-37-24(35)36)16(2)38-25(3,4)5/h6-13,15-16,20H,14H2,1-5H3,(H,30,32,34)/t15-,16+,20+/m0/s1
• InChIKey: RCNYRUCXSRDWLI-RZQQEMMASA-N
• XLogP: 5.65
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.55
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90414317) is (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2cccc(C(F)(F)F)n2)cn1.

What is the InChIKey of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The InChIKey is RCNYRUCXSRDWLI-RZQQEMMASA-N. The full InChI is InChI=1S/C26H29F3N6O3/c1-15(18-10-9-17(13-31-18)19-7-6-8-21(33-19)26(27,28)29)32-23-30-12-11-22(34-23)35-20(14-37-24(35)36)16(2)38-25(3,4)5/h6-13,15-16,20H,14H2,1-5H3,(H,30,32,34)/t15-,16+,20+/m0/s1.

What are the key properties of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 530.55 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90414317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).