[1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone

C21H21FN8O2 — CID 172581496

IUPAC[1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone
SMILESO=C(C1CCN(c2nc(-c3cncnc3)ncc2F)CC1)N1OCC[C@H]1c1cnccn1
InChIInChI=1S/C21H21FN8O2/c22-16-11-27-19(15-9-24-13-25-10-15)28-20(16)29-6-1-14(2-7-29)21(31)30-18(3-8-32-30)17-12-23-4-5-26-17/h4-5,9-14,18H,1-3,6-8H2/t18-/m0/s1
InChIKeyYZTAPIOIFIZJLF-SFHVURJKSA-N
MW436.45 g/mol
LogP1.98
Rot. Bonds4

About [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone

[1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone (PubChem CID 172581496) has the molecular formula C21H21FN8O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone
PubChem CID172581496
Molecular FormulaC21H21FN8O2
Molecular Weight436.45 g/mol
Exact Mass436.18
IUPAC Name[1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone
SMILESO=C(C1CCN(c2nc(-c3cncnc3)ncc2F)CC1)N1OCC[C@H]1c1cnccn1
InChIInChI=1S/C21H21FN8O2/c22-16-11-27-19(15-9-24-13-25-10-15)28-20(16)29-6-1-14(2-7-29)21(31)30-18(3-8-32-30)17-12-23-4-5-26-17/h4-5,9-14,18H,1-3,6-8H2/t18-/m0/s1
InChIKeyYZTAPIOIFIZJLF-SFHVURJKSA-N
XLogP1.98
TPSA110.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone (CID 172581496) is [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone is O=C(C1CCN(c2nc(-c3cncnc3)ncc2F)CC1)N1OCC[C@H]1c1cnccn1.
What is the InChIKey of [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone?
The InChIKey is YZTAPIOIFIZJLF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21FN8O2/c22-16-11-27-19(15-9-24-13-25-10-15)28-20(16)29-6-1-14(2-7-29)21(31)30-18(3-8-32-30)17-12-23-4-5-26-17/h4-5,9-14,18H,1-3,6-8H2/t18-/m0/s1.
What are the key properties of [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone?
[1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone has a molecular weight of 436.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-pyrimidin-5-ylpyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 172581496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).