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

C18H19F4N5O4 — CID 90452055

IUPAC(4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H19F4N5O4/c1-9(13-4-3-11(5-23-13)31-8-18(20,21)22)25-16-24-6-12(19)15(26-16)27-14(10(2)28)7-30-17(27)29/h3-6,9-10,14,28H,7-8H2,1-2H3,(H,24,25,26)/t9-,10+,14+/m0/s1
InChIKeyBDQMYRKYRKFFNS-IMSIIYSGSA-N
MW445.37 g/mol
LogP2.83
Rot. Bonds7

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

(4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 90452055) has the molecular formula C18H19F4N5O4 and a molecular weight of 445.37 g/mol. Its IUPAC name is (4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]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-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
PubChem CID90452055
Molecular FormulaC18H19F4N5O4
Molecular Weight445.37 g/mol
Exact Mass445.14
IUPAC Name(4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H19F4N5O4/c1-9(13-4-3-11(5-23-13)31-8-18(20,21)22)25-16-24-6-12(19)15(26-16)27-14(10(2)28)7-30-17(27)29/h3-6,9-10,14,28H,7-8H2,1-2H3,(H,24,25,26)/t9-,10+,14+/m0/s1
InChIKeyBDQMYRKYRKFFNS-IMSIIYSGSA-N
XLogP2.83
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]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-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 90452055) is (4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]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-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]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-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of (4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is BDQMYRKYRKFFNS-IMSIIYSGSA-N. The full InChI is InChI=1S/C18H19F4N5O4/c1-9(13-4-3-11(5-23-13)31-8-18(20,21)22)25-16-24-6-12(19)15(26-16)27-14(10(2)28)7-30-17(27)29/h3-6,9-10,14,28H,7-8H2,1-2H3,(H,24,25,26)/t9-,10+,14+/m0/s1.
What are the key properties of (4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
(4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 445.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[5-fluoro-2-[[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90452055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).