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

C24H27FN6O2 — CID 127038124

IUPAC(5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCCN1CCN(C[C@H]2CN(c3ccc(-n4cc(-c5ccccn5)cn4)c(F)c3)C(=O)O2)CC1
InChIInChI=1S/C24H27FN6O2/c1-2-28-9-11-29(12-10-28)16-20-17-30(24(32)33-20)19-6-7-23(21(25)13-19)31-15-18(14-27-31)22-5-3-4-8-26-22/h3-8,13-15,20H,2,9-12,16-17H2,1H3/t20-/m0/s1
InChIKeyCBARSIWCKXALES-FQEVSTJZSA-N
MW450.52 g/mol
LogP3.04
Rot. Bonds6

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

(5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 127038124) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID127038124
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name(5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCCN1CCN(C[C@H]2CN(c3ccc(-n4cc(-c5ccccn5)cn4)c(F)c3)C(=O)O2)CC1
InChIInChI=1S/C24H27FN6O2/c1-2-28-9-11-29(12-10-28)16-20-17-30(24(32)33-20)19-6-7-23(21(25)13-19)31-15-18(14-27-31)22-5-3-4-8-26-22/h3-8,13-15,20H,2,9-12,16-17H2,1H3/t20-/m0/s1
InChIKeyCBARSIWCKXALES-FQEVSTJZSA-N
XLogP3.04
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-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 (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 127038124) is (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one is CCN1CCN(C[C@H]2CN(c3ccc(-n4cc(-c5ccccn5)cn4)c(F)c3)C(=O)O2)CC1.
What is the InChIKey of (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CBARSIWCKXALES-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-2-28-9-11-29(12-10-28)16-20-17-30(24(32)33-20)19-6-7-23(21(25)13-19)31-15-18(14-27-31)22-5-3-4-8-26-22/h3-8,13-15,20H,2,9-12,16-17H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one?
(5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 450.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-ethylpiperazin-1-yl)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 127038124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).