(4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

C23H24FN5O3 — CID 90451884

IUPAC(4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)O)n3)cn2)ccc1F
InChIInChI=1S/C23H24FN5O3/c1-13-10-16(4-6-18(13)24)19-7-5-17(11-26-19)14(2)27-22-25-9-8-21(28-22)29-20(15(3)30)12-32-23(29)31/h4-11,14-15,20,30H,12H2,1-3H3,(H,25,27,28)/t14-,15+,20+/m0/s1
InChIKeyGURKVSMLMZITAJ-BXTJHSDWSA-N
MW437.48 g/mol
LogP3.87
Rot. Bonds6

About (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 90451884) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
PubChem CID90451884
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name(4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)O)n3)cn2)ccc1F
InChIInChI=1S/C23H24FN5O3/c1-13-10-16(4-6-18(13)24)19-7-5-17(11-26-19)14(2)27-22-25-9-8-21(28-22)29-20(15(3)30)12-32-23(29)31/h4-11,14-15,20,30H,12H2,1-3H3,(H,25,27,28)/t14-,15+,20+/m0/s1
InChIKeyGURKVSMLMZITAJ-BXTJHSDWSA-N
XLogP3.87
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-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-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 90451884) is (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is Cc1cc(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)O)n3)cn2)ccc1F.
What is the InChIKey of (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is GURKVSMLMZITAJ-BXTJHSDWSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-13-10-16(4-6-18(13)24)19-7-5-17(11-26-19)14(2)27-22-25-9-8-21(28-22)29-20(15(3)30)12-32-23(29)31/h4-11,14-15,20,30H,12H2,1-3H3,(H,25,27,28)/t14-,15+,20+/m0/s1.
What are the key properties of (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 437.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[(1S)-1-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90451884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).