(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

C24H27FN6O3 — CID 127038125

IUPAC(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCN(CCO)CC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1
InChIInChI=1S/C24H27FN6O3/c25-21-13-19(4-5-23(21)31-15-18(14-27-31)22-3-1-2-6-26-22)30-17-20(34-24(30)33)16-29-9-7-28(8-10-29)11-12-32/h1-6,13-15,20,32H,7-12,16-17H2/t20-/m0/s1
InChIKeyXKMCIFPBHFVIQV-FQEVSTJZSA-N
MW466.52 g/mol
LogP2.01
Rot. Bonds7

About (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 127038125) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID127038125
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCN(CCO)CC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1
InChIInChI=1S/C24H27FN6O3/c25-21-13-19(4-5-23(21)31-15-18(14-27-31)22-3-1-2-6-26-22)30-17-20(34-24(30)33)16-29-9-7-28(8-10-29)11-12-32/h1-6,13-15,20,32H,7-12,16-17H2/t20-/m0/s1
InChIKeyXKMCIFPBHFVIQV-FQEVSTJZSA-N
XLogP2.01
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 127038125) is (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](CN2CCN(CCO)CC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1.
What is the InChIKey of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XKMCIFPBHFVIQV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27FN6O3/c25-21-13-19(4-5-23(21)31-15-18(14-27-31)22-3-1-2-6-26-22)30-17-20(34-24(30)33)16-29-9-7-28(8-10-29)11-12-32/h1-6,13-15,20,32H,7-12,16-17H2/t20-/m0/s1.
What are the key properties of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 466.52 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 127038125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).