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

C24H26F4N6O3S — CID 86268801

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

(4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 86268801) has the molecular formula C24H26F4N6O3S and a molecular weight of 554.57 g/mol. Its IUPAC name is (4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
• PubChem CID: 86268801
• Molecular Formula: C24H26F4N6O3S
• Molecular Weight: 554.57 g/mol
• Exact Mass: 554.17
• IUPAC Name: (4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
• SMILES: Cc1nc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3[C@@H](C)O)n2)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
• InChI: InChI=1S/C24H26F4N6O3S/c1-11-18(14-6-7-29-17(8-14)23(4,5)24(26,27)28)38-20(31-11)12(2)32-21-30-9-15(25)19(33-21)34-16(13(3)35)10-37-22(34)36/h6-9,12-13,16,35H,10H2,1-5H3,(H,30,32,33)/t12-,13+,16+/m0/s1
• InChIKey: UQINMWIGODPXCQ-WOSRLPQWSA-N
• XLogP: 5.16
• TPSA: 113.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.57
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 86268801) is (4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is Cc1nc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3[C@@H](C)O)n2)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1.

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

The InChIKey is UQINMWIGODPXCQ-WOSRLPQWSA-N. The full InChI is InChI=1S/C24H26F4N6O3S/c1-11-18(14-6-7-29-17(8-14)23(4,5)24(26,27)28)38-20(31-11)12(2)32-21-30-9-15(25)19(33-21)34-16(13(3)35)10-37-22(34)36/h6-9,12-13,16,35H,10H2,1-5H3,(H,30,32,33)/t12-,13+,16+/m0/s1.

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

(4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 554.57 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86268801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).