5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one

C22H24FN7O2 — CID 68594808

IUPAC5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CN3CCN(c4nccnc4-c4ccc(F)cc4)CC3)cn2)O1
InChIInChI=1S/C22H24FN7O2/c23-18-3-1-17(2-4-18)20-21(25-6-5-24-20)29-9-7-28(8-10-29)13-16-11-27-30(14-16)15-19-12-26-22(31)32-19/h1-6,11,14,19H,7-10,12-13,15H2,(H,26,31)
InChIKeyVONUCYNONGVQAL-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.91
Rot. Bonds6

About 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one

5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 68594808) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID68594808
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CN3CCN(c4nccnc4-c4ccc(F)cc4)CC3)cn2)O1
InChIInChI=1S/C22H24FN7O2/c23-18-3-1-17(2-4-18)20-21(25-6-5-24-20)29-9-7-28(8-10-29)13-16-11-27-30(14-16)15-19-12-26-22(31)32-19/h1-6,11,14,19H,7-10,12-13,15H2,(H,26,31)
InChIKeyVONUCYNONGVQAL-UHFFFAOYSA-N
XLogP1.91
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 68594808) is 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(CN3CCN(c4nccnc4-c4ccc(F)cc4)CC3)cn2)O1.
What is the InChIKey of 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is VONUCYNONGVQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O2/c23-18-3-1-17(2-4-18)20-21(25-6-5-24-20)29-9-7-28(8-10-29)13-16-11-27-30(14-16)15-19-12-26-22(31)32-19/h1-6,11,14,19H,7-10,12-13,15H2,(H,26,31).
What are the key properties of 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 437.48 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68594808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).